Receptor
PDB id Resolution Class Description Source Keywords
1E9B 1.7 Å EC: 2.7.4.9 HUMAN THYMIDYLATE KINASE COMPLEXED WITH AZTMP AND APPNP HOMO SAPIENS PHOSPHOTRANSFERASE THYMIDYLATE KINASE P-LOOP TRANSFERASE
Ref.: POTENTIATING AZT ACTIVATION: STRUCTURES OF WILDTYPE AND MUTANT HUMAN THYMIDYLATE KINASE SUGGEST REASONS FOR THE MUTANTS' IMPROVED KINETICS WITH THE HIV PRODRUG METABOLITE AZTMP J.MOL.BIOL. V. 304 43 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:302;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
ANP A:303;
Valid;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
ATM A:301;
Valid;
none;
submit data
347.221 C10 H14 N5 O7 P CC1=C...
MG A:401;
A:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1NN5 1.5 Å EC: 2.7.4.9 CRYSTAL STRUCTURE OF HUMAN THYMIDYLATE KINASE WITH D4TMP + A HOMO SAPIENS THYMIDYLATE KINASE P-LOOP D4TMP TRANSFERASE
Ref.: STRUCTURES OF HUMAN THYMIDYLATE KINASE IN COMPLEX W PRODRUGS: IMPLICATIONS FOR THE STRUCTURE-BASED DESI NOVEL COMPOUNDS BIOCHEMISTRY V. 42 2568 2003
Members (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1E2Q - TMP C10 H15 N2 O8 P CC1=CN(C(=....
2 1E9C - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 1NN0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 1E2G - TMP C10 H15 N2 O8 P CC1=CN(C(=....
5 1NN1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 1NMX - FDM C10 H14 F N2 O7 P CC1=CN(C(=....
7 1E2E - AF3 Al F3 F[Al](F)F
8 1NN5 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
9 1E9B - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
10 1E2D - TMP C10 H15 N2 O8 P CC1=CN(C(=....
11 1E99 - ATM C10 H14 N5 O7 P CC1=CN(C(=....
12 1NMY - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
13 2XX3 - TAE C9 H14 N2 O8 P2 CC1=CN(C(=....
14 1NMZ - NYM C10 H16 N3 O7 P CC1=CN(C(=....
15 1E9D - ATM C10 H14 N5 O7 P CC1=CN(C(=....
16 1NN3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
17 1E9A - Z5A C20 H24 N10 O22 P5 CC1=CN(C(=....
18 1E9F - TMP C10 H15 N2 O8 P CC1=CN(C(=....
19 1E9E - TMP C10 H15 N2 O8 P CC1=CN(C(=....
20 1E98 - ATM C10 H14 N5 O7 P CC1=CN(C(=....
21 1E2F - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
70% Homology Family (21)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1E2Q - TMP C10 H15 N2 O8 P CC1=CN(C(=....
2 1E9C - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 1NN0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 1E2G - TMP C10 H15 N2 O8 P CC1=CN(C(=....
5 1NN1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 1NMX - FDM C10 H14 F N2 O7 P CC1=CN(C(=....
7 1E2E - AF3 Al F3 F[Al](F)F
8 1NN5 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
9 1E9B - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
10 1E2D - TMP C10 H15 N2 O8 P CC1=CN(C(=....
11 1E99 - ATM C10 H14 N5 O7 P CC1=CN(C(=....
12 1NMY - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
13 2XX3 - TAE C9 H14 N2 O8 P2 CC1=CN(C(=....
14 1NMZ - NYM C10 H16 N3 O7 P CC1=CN(C(=....
15 1E9D - ATM C10 H14 N5 O7 P CC1=CN(C(=....
16 1NN3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
17 1E9A - Z5A C20 H24 N10 O22 P5 CC1=CN(C(=....
18 1E9F - TMP C10 H15 N2 O8 P CC1=CN(C(=....
19 1E9E - TMP C10 H15 N2 O8 P CC1=CN(C(=....
20 1E98 - ATM C10 H14 N5 O7 P CC1=CN(C(=....
21 1E2F - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
50% Homology Family (45)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2YOH Ki = 11 uM WMJ C17 H19 N5 O7 CC1=CN(C(=....
2 2YOF Ki = 25 uM 74W C18 H18 Cl F3 N4 O4 S CC1=CN(C(=....
3 2WWF - TMP C10 H15 N2 O8 P CC1=CN(C(=....
4 2YOG Ki = 31 uM 74X C18 H18 Cl F3 N4 O4 S CC1=CN(C(=....
5 2V54 - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
6 4QGF ic50 = 69 nM 32B C27 H30 Cl N3 O6 CC[C@H](c1....
7 4QG7 ic50 = 10 nM 32K C25 H26 Cl N3 O6 CC1=CN(C(=....
8 4QGH ic50 = 1 nM 32E C28 H31 Cl F N3 O5 CC1=CN(C(=....
9 4GFD Ki = 330 pM 0YB C29 H34 Br N3 O5 CC1=CN(C(=....
10 4GSY ic50 = 120 nM 0Y5 C25 H24 F3 N3 O5 CC1=CN(C(=....
11 4HLC ic50 = 174 nM T05 C24 H25 N3 O7 S Cc1cccc(c1....
12 4TMK Kd = 20 nM T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
13 1E2Q - TMP C10 H15 N2 O8 P CC1=CN(C(=....
14 1E9C - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
15 1NN0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 1E2G - TMP C10 H15 N2 O8 P CC1=CN(C(=....
17 1NN1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
18 1NMX - FDM C10 H14 F N2 O7 P CC1=CN(C(=....
19 1E2E - AF3 Al F3 F[Al](F)F
20 1NN5 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
21 1E9B - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
22 1E2D - TMP C10 H15 N2 O8 P CC1=CN(C(=....
23 1E99 - ATM C10 H14 N5 O7 P CC1=CN(C(=....
24 1NMY - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
25 2XX3 - TAE C9 H14 N2 O8 P2 CC1=CN(C(=....
26 1NMZ - NYM C10 H16 N3 O7 P CC1=CN(C(=....
27 1E9D - ATM C10 H14 N5 O7 P CC1=CN(C(=....
28 1NN3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 1E9A - Z5A C20 H24 N10 O22 P5 CC1=CN(C(=....
30 1E9F - TMP C10 H15 N2 O8 P CC1=CN(C(=....
31 1E9E - TMP C10 H15 N2 O8 P CC1=CN(C(=....
32 1E98 - ATM C10 H14 N5 O7 P CC1=CN(C(=....
33 1E2F - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
34 2TMK - ATM C10 H14 N5 O7 P CC1=CN(C(=....
35 3TMK Kd = 135 nM T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
36 1TMK - TMP C10 H15 N2 O8 P CC1=CN(C(=....
37 3UWO ic50 = 20 uM 0DJ C14 H12 N4 O2 CN1c2cc(cn....
38 3UXM ic50 = 17 uM 0DN C10 H13 F N2 O4 CC1=CN(C(=....
39 5UIV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
40 5XB2 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
41 5XB3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
42 5XAI - TMP C10 H15 N2 O8 P CC1=CN(C(=....
43 5H56 - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
44 5H5B - FLC C6 H5 O7 C(C(=O)[O-....
45 5H5K - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 435
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 AQP 0.887324 1
5 5FA 0.887324 1
6 AP5 0.884058 0.971831
7 B4P 0.884058 0.971831
8 BA3 0.869565 0.971831
9 AN2 0.84507 0.985915
10 M33 0.833333 0.958333
11 ACQ 0.826667 0.972222
12 A 0.823529 0.971429
13 AMP 0.823529 0.971429
14 ACP 0.821918 0.972222
15 AR6 0.810811 0.971831
16 APR 0.810811 0.971831
17 ANP 0.802632 0.972222
18 AD9 0.8 0.972222
19 AGS 0.8 0.945946
20 SAP 0.8 0.945946
21 ADX 0.783784 0.873418
22 CA0 0.783784 0.945205
23 TAT 0.779221 0.958904
24 AMP MG 0.774648 0.891892
25 50T 0.773333 0.958333
26 ABM 0.763889 0.917808
27 APC 0.763158 0.958904
28 PRX 0.763158 0.893333
29 ATF 0.759494 0.958904
30 A22 0.753086 0.985915
31 A12 0.743243 0.958904
32 AP2 0.743243 0.958904
33 ADP MG 0.736842 0.905405
34 SRA 0.736111 0.918919
35 ADQ 0.73494 0.945205
36 25L 0.732558 0.985915
37 ADP BEF 0.727273 0.881579
38 BEF ADP 0.727273 0.881579
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 ADP PO3 0.708861 0.943662
44 PAP 0.708861 0.985714
45 ATR 0.708861 0.971429
46 SRP 0.707317 0.906667
47 7D3 0.706667 0.905405
48 25A 0.702381 0.971831
49 ATP MG 0.7 0.905405
50 OAD 0.697674 0.945205
51 RBY 0.6875 0.932432
52 ADV 0.6875 0.932432
53 00A 0.686047 0.883117
54 5SV 0.682353 0.848101
55 8QN 0.682353 0.931507
56 OOB 0.682353 0.931507
57 3OD 0.681818 0.945205
58 BIS 0.681818 0.933333
59 ADP ALF 0.674699 0.87013
60 ALF ADP 0.674699 0.87013
61 AMO 0.674419 0.932432
62 4AD 0.674419 0.92
63 PAJ 0.674419 0.884615
64 GAP 0.670732 0.893333
65 MAP 0.670588 0.945946
66 DLL 0.666667 0.931507
67 ANP MG 0.666667 0.894737
68 VO4 ADP 0.666667 0.931507
69 AHX 0.666667 0.896104
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LAD 0.651685 0.860759
75 WAQ 0.651685 0.883117
76 PR8 0.651685 0.85
77 ITT 0.65 0.943662
78 7D4 0.65 0.905405
79 G5P 0.648936 0.921053
80 RAB 0.647059 0.84507
81 ADN 0.647059 0.84507
82 XYA 0.647059 0.84507
83 TXA 0.644444 0.932432
84 1ZZ 0.644444 0.839506
85 ME8 0.644444 0.839506
86 NB8 0.644444 0.896104
87 FYA 0.644444 0.905405
88 6AD 0.642857 0.909091
89 ADP BMA 0.640449 0.918919
90 G3A 0.638298 0.921053
91 DAL AMP 0.632184 0.905405
92 AFH 0.631579 0.884615
93 9SN 0.630435 0.871795
94 GTA 0.625 0.886076
95 YAP 0.623656 0.894737
96 FA5 0.623656 0.906667
97 UP5 0.622449 0.92
98 XAH 0.617021 0.839506
99 AV2 0.616279 0.917808
100 AOC 0.615385 0.821918
101 48N 0.612245 0.896104
102 4UV 0.610526 0.894737
103 TXD 0.606061 0.907895
104 DND 0.606061 0.932432
105 NAX 0.606061 0.873418
106 NXX 0.606061 0.932432
107 NAI 0.606061 0.907895
108 6V0 0.606061 0.896104
109 5N5 0.605634 0.819444
110 5AS 0.604938 0.77907
111 A4P 0.60396 0.843373
112 DAT 0.60241 0.905405
113 A2R 0.602273 0.985915
114 TXE 0.6 0.907895
115 OMR 0.6 0.851852
116 4UU 0.597938 0.894737
117 A A 0.597826 0.944444
118 A4D 0.597222 0.819444
119 5CD 0.597222 0.805556
120 AP0 0.594059 0.896104
121 4TC 0.594059 0.896104
122 A3P 0.592593 0.971429
123 139 0.592233 0.873418
124 T5A 0.592233 0.841463
125 7D5 0.592105 0.878378
126 ATP A A A 0.589474 0.930556
127 LAQ 0.585859 0.839506
128 MYR AMP 0.585106 0.817073
129 YLP 0.58 0.819277
130 UPA 0.578431 0.907895
131 7DD 0.578313 0.985714
132 ADJ 0.576923 0.851852
133 3AM 0.576923 0.929577
134 COD 0.575472 0.811765
135 NAD 0.575472 0.931507
136 3AT 0.574713 0.971831
137 JB6 0.574468 0.883117
138 4UW 0.574257 0.860759
139 EP4 0.573333 0.753247
140 A2P 0.573171 0.957143
141 CNA 0.571429 0.932432
142 TYM 0.568627 0.906667
143 PPS 0.568182 0.873418
144 TYR AMP 0.56701 0.881579
145 DTA 0.565789 0.786667
146 M2T 0.565789 0.734177
147 AR6 AR6 0.565657 0.917808
148 A3D 0.564815 0.918919
149 3DH 0.564103 0.773333
150 G5A 0.563218 0.77907
151 YLB 0.563107 0.819277
152 YLC 0.563107 0.839506
153 AMP DBH 0.561224 0.893333
154 MTA 0.558442 0.773333
155 DTP 0.556818 0.905405
156 AHZ 0.554455 0.817073
157 NA7 0.553191 0.958904
158 IOT 0.552381 0.831325
159 7MD 0.55 0.8625
160 ZAS 0.55 0.766234
161 IMO 0.548781 0.929577
162 YLA 0.54717 0.819277
163 NAE 0.544643 0.894737
164 TAD 0.544554 0.884615
165 A5A 0.544444 0.807229
166 2AM 0.544304 0.943662
167 TSB 0.543478 0.819277
168 6RE 0.54321 0.759494
169 AYB 0.542056 0.809524
170 NAQ 0.539823 0.871795
171 V3L 0.539326 0.971831
172 ARG AMP 0.539216 0.829268
173 AF3 ADP 3PG 0.538462 0.8375
174 SSA 0.538462 0.8
175 LA8 ALF 3PG 0.538462 0.8375
176 ALF ADP 3PG 0.538462 0.8375
177 ZID 0.535088 0.918919
178 LPA AMP 0.533981 0.817073
179 54H 0.532609 0.788235
180 52H 0.532609 0.77907
181 VMS 0.532609 0.788235
182 BTX 0.53211 0.841463
183 J7C 0.53012 0.769231
184 A3N 0.53012 0.786667
185 5X8 0.528736 0.763158
186 BT5 0.527273 0.831325
187 5CA 0.526882 0.8
188 53H 0.526882 0.77907
189 ARU 0.526316 0.860759
190 EAD 0.525862 0.873418
191 RGT 0.525253 0.958904
192 OVE 0.52439 0.905405
193 S4M 0.52381 0.666667
194 7DT 0.522727 0.985714
195 GDP 0.522222 0.92
196 DDS 0.522222 0.878378
197 AVV 0.521277 0.896104
198 NDE 0.521008 0.932432
199 7MC 0.518868 0.841463
200 DSH 0.518072 0.725
201 MAO 0.517647 0.759036
202 LSS 0.515789 0.761364
203 DSZ 0.515789 0.8
204 NSS 0.515789 0.8
205 P5A 0.515464 0.744444
206 DZD 0.513514 0.884615
207 NVA LMS 0.510417 0.761364
208 12D 0.509615 0.785714
209 NAD IBO 0.509091 0.87013
210 M24 0.508772 0.85
211 YLY 0.508772 0.809524
212 P1H 0.508333 0.851852
213 5AD 0.506849 0.746479
214 GJV 0.505882 0.75
215 LEU LMS 0.505155 0.761364
216 G A A A 0.504505 0.871795
217 4TA 0.504505 0.807229
218 NAJ PZO 0.504425 0.848101
219 KAA 0.5 0.752809
220 NDC 0.5 0.871795
221 7D7 0.5 0.743243
222 71V 0.5 0.907895
223 A3G 0.5 0.8
224 128 0.5 0.776471
225 GSU 0.5 0.77907
226 N0B 0.495726 0.819277
227 NJP 0.495495 0.945946
228 ODP 0.495495 0.909091
229 2SA 0.494624 0.932432
230 6C6 0.494505 0.881579
231 SFG 0.494382 0.75
232 0WD 0.491071 0.921053
233 YSA 0.490196 0.77907
234 PO4 PO4 A A A A PO4 0.489796 0.902778
235 6IA 0.48913 0.8375
236 SAM 0.48913 0.690476
237 A7D 0.488636 0.776316
238 6FA 0.488 0.841463
239 FB0 0.487805 0.804598
240 NAJ PYZ 0.487179 0.85
241 IDP 0.483516 0.918919
242 A5D 0.483516 0.786667
243 SA8 0.483516 0.707317
244 MHZ 0.483146 0.697674
245 PGS 0.483146 0.883117
246 D5M 0.482353 0.878378
247 DA 0.482353 0.878378
248 NEC 0.482353 0.746667
249 NIA 0.481928 0.822785
250 Y3J 0.480519 0.726027
251 FAD 0.480315 0.851852
252 FAS 0.480315 0.851852
253 FDA 0.48 0.833333
254 N6P 0.479592 0.915493
255 GGZ 0.479167 0.825
256 SAH 0.478261 0.74359
257 SAI 0.478261 0.734177
258 NPW 0.477477 0.886076
259 NDP 0.477477 0.921053
260 AAM 0.476744 0.971429
261 AMZ 0.47561 0.916667
262 C2R 0.47561 0.90411
263 A A A 0.474747 0.905405
264 GTP 0.473684 0.92
265 U A G G 0.473684 0.883117
266 SMM 0.473684 0.686047
267 TXP 0.473214 0.921053
268 NZQ 0.473214 0.909091
269 A3S 0.47191 0.810811
270 AMP NAD 0.470588 0.881579
271 SFD 0.46875 0.734043
272 AIR 0.468354 0.901408
273 AAT 0.468085 0.707317
274 EEM 0.468085 0.690476
275 Z5A 0.466667 0.77907
276 7C5 0.466667 0.818182
277 J7V 0.466667 0.833333
278 62F 0.465649 0.8625
279 FAY 0.462121 0.8625
280 ETB 0.461538 0.833333
281 DCA 0.461538 0.823529
282 A3T 0.461538 0.821918
283 A6D 0.46 0.722892
284 A U 0.459459 0.87013
285 6K6 0.459184 0.930556
286 GEK 0.459184 0.7375
287 RFL 0.458647 0.821429
288 S7M 0.458333 0.690476
289 NAP 0.458333 0.945205
290 4YB 0.457944 0.761364
291 WSA 0.454545 0.788235
292 TAP 0.454545 0.907895
293 FNK 0.454545 0.804598
294 COA 0.453782 0.823529
295 0T1 0.453782 0.823529
296 101 0.453488 0.878378
297 XNP 0.452174 0.873418
298 NA0 0.45082 0.932432
299 7RP 0.448276 0.928571
300 GP3 0.446809 0.921053
301 TM1 0.446602 0.77381
302 APU 0.446429 0.894737
303 PUA 0.445378 0.884615
304 V1N 0.443396 0.917808
305 7RA 0.443182 0.957747
306 30N 0.442623 0.752688
307 CAO 0.442623 0.795455
308 AMX 0.442623 0.833333
309 COS 0.442623 0.804598
310 ACK 0.44186 0.861111
311 QQY 0.44186 0.815789
312 649 0.441441 0.744444
313 0UM 0.44 0.698795
314 NHD 0.439655 0.905405
315 CMX 0.439024 0.823529
316 SCO 0.439024 0.823529
317 GCP 0.438776 0.896104
318 8BR 0.438202 0.906667
319 GNH 0.4375 0.907895
320 3AD 0.4375 0.805556
321 62X 0.435644 0.666667
322 ACO 0.435484 0.795455
323 FCX 0.435484 0.795455
324 FAM 0.435484 0.804598
325 GNP 0.434343 0.896104
326 NMX 0.433071 0.76087
327 MGP 0.43299 0.884615
328 PLP AAD 0.432203 0.741573
329 26A 0.432099 0.763158
330 HAX 0.432 0.804598
331 K15 0.431373 0.682353
332 DG1 0.430894 0.921053
333 1DG 0.430894 0.921053
334 QQX 0.430233 0.805195
335 2VA 0.430108 0.8
336 S8M 0.43 0.759494
337 2MC 0.429688 0.769231
338 3KK 0.428571 0.804598
339 6G0 0.428571 0.884615
340 FYN 0.428571 0.823529
341 P5F 0.428571 0.823529
342 NAD BBN 0.428571 0.841463
343 U G A 0.427481 0.839506
344 AS 0.426966 0.833333
345 FAI 0.426966 0.916667
346 RMB 0.426966 0.873239
347 1RB 0.425287 0.885714
348 MCD 0.425197 0.804598
349 OXK 0.425197 0.804598
350 COK 0.425197 0.804598
351 CA6 0.425197 0.729167
352 SOP 0.425197 0.804598
353 G1R 0.424242 0.907895
354 CC5 0.423077 0.816901
355 SXZ 0.423077 0.710843
356 F2N 0.422535 0.813953
357 NAD CJ3 0.422222 0.811765
358 ANZ 0.422018 0.8
359 CMC 0.421875 0.804598
360 CO6 0.421875 0.804598
361 1VU 0.421875 0.795455
362 ZDA 0.421053 0.864865
363 GDD 0.420561 0.884615
364 GKE 0.420561 0.884615
365 GDC 0.420561 0.884615
366 NFD 0.420168 0.883117
367 GSP 0.42 0.873418
368 D3Y 0.42 0.789474
369 MC4 0.419847 0.76087
370 3L1 0.419753 0.773333
371 3D1 0.419753 0.773333
372 FA9 0.41958 0.864198
373 5GP 0.419355 0.906667
374 G 0.419355 0.906667
375 KB1 0.419048 0.698795
376 SCD 0.418605 0.823529
377 CAJ 0.418605 0.804598
378 2BA 0.417582 0.915493
379 CMP 0.417582 0.901408
380 SO8 0.416667 0.789474
381 N01 0.416667 0.905405
382 VRT 0.416667 0.769231
383 3HC 0.415385 0.813953
384 A1S 0.415385 0.804598
385 BCO 0.415385 0.804598
386 IVC 0.415385 0.813953
387 MLC 0.415385 0.804598
388 1HE 0.415385 0.786517
389 NMN AMP PO4 0.415254 0.87013
390 2FA 0.414634 0.813333
391 MGO 0.414141 0.860759
392 3NZ 0.413462 0.782051
393 MCA 0.412214 0.795455
394 CAA 0.412214 0.813953
395 YE1 0.412214 0.813953
396 COO 0.412214 0.804598
397 GAV 0.411765 0.884615
398 P2P 0.411111 0.902778
399 JLN 0.411111 0.890411
400 ZZB 0.410256 0.77381
401 CNV FAD 0.410072 0.793103
402 SCA 0.409091 0.804598
403 RP1 0.409091 0.842105
404 103 0.409091 0.837838
405 2CP 0.409091 0.795455
406 SP1 0.409091 0.842105
407 PAX 0.408 0.829268
408 FAD NBT 0.407143 0.75
409 NVA 2AD 0.40625 0.74359
410 COW 0.406015 0.795455
411 BYC 0.406015 0.804598
412 2KQ 0.406015 0.786517
413 COF 0.406015 0.786517
414 3CP 0.406015 0.804598
415 IRC 0.406015 0.813953
416 1GZ 0.406015 0.795455
417 HGG 0.406015 0.804598
418 CA8 0.406015 0.729167
419 G2P 0.405941 0.884615
420 SLU 0.404959 0.770115
421 U A C C 0.404959 0.858974
422 RBZ 0.404494 0.849315
423 1CZ 0.404412 0.795455
424 BCA 0.402985 0.795455
425 FAQ 0.402985 0.804598
426 4CA 0.402985 0.795455
427 MTP 0.402439 0.730769
428 8OD 0.402062 0.945205
429 CO7 0.401515 0.804598
430 DAL FAD PER 0.401408 0.809524
431 G2R 0.4 0.884615
432 HXC 0.4 0.786517
433 ENQ 0.4 0.916667
434 GMV 0.4 0.896104
435 GRA 0.4 0.804598
Ligand no: 2; Ligand: ANP; Similar ligands found: 358
No: Ligand ECFP6 Tc MDL keys Tc
1 ANP 1 1
2 A2D 0.810811 0.945205
3 B4P 0.802632 0.945205
4 ADP 0.802632 0.972222
5 AP5 0.802632 0.945205
6 BA3 0.789474 0.945205
7 AU1 0.782051 1
8 ATP 0.772152 0.972222
9 AN2 0.769231 0.986111
10 AQP 0.7625 0.972222
11 5FA 0.7625 0.972222
12 M33 0.759494 0.932432
13 MAP 0.752941 0.972973
14 ACP 0.75 0.945946
15 APR 0.740741 0.945205
16 AR6 0.740741 0.945205
17 ACQ 0.73494 0.945946
18 AD9 0.731707 0.945946
19 SAP 0.731707 0.921053
20 AGS 0.731707 0.921053
21 AMP 0.723684 0.944444
22 A 0.723684 0.944444
23 ATF 0.717647 0.933333
24 ADX 0.716049 0.851852
25 CA0 0.716049 0.92
26 50T 0.707317 0.932432
27 PRX 0.698795 0.87013
28 ABM 0.696203 0.893333
29 AMP MG 0.683544 0.868421
30 AP2 0.679012 0.933333
31 A12 0.679012 0.933333
32 APC 0.678571 0.933333
33 TAT 0.674419 0.933333
34 A22 0.674157 0.958904
35 SRA 0.670886 0.894737
36 SRP 0.670455 0.883117
37 5AL 0.666667 0.906667
38 ADQ 0.659341 0.92
39 A1R 0.659341 0.884615
40 ADP MG 0.654762 0.881579
41 3OD 0.648936 0.92
42 BIS 0.648936 0.909091
43 5SV 0.648352 0.82716
44 BEF ADP 0.647059 0.858974
45 ADP BEF 0.647059 0.858974
46 OAD 0.645161 0.92
47 25L 0.642105 0.958904
48 AMO 0.641304 0.907895
49 G5P 0.636364 0.897436
50 DLL 0.634409 0.906667
51 AHX 0.634409 0.897436
52 00A 0.634409 0.860759
53 ANP MG 0.633333 0.921053
54 ADV 0.632184 0.907895
55 ADP PO3 0.632184 0.917808
56 RBY 0.632184 0.907895
57 NB8 0.631579 0.897436
58 25A 0.630435 0.945205
59 8QN 0.630435 0.906667
60 OOB 0.630435 0.906667
61 G3A 0.626263 0.897436
62 ATP MG 0.625 0.881579
63 4AD 0.623656 0.896104
64 PAJ 0.623656 0.8625
65 LAD 0.621053 0.839506
66 1ZZ 0.614583 0.819277
67 TXA 0.614583 0.907895
68 ME8 0.614583 0.819277
69 GTA 0.613861 0.864198
70 3UK 0.610526 0.894737
71 SON 0.604651 0.907895
72 ADP ALF 0.604396 0.848101
73 ALF ADP 0.604396 0.848101
74 WAQ 0.604167 0.860759
75 PR8 0.604167 0.829268
76 4UV 0.6 0.871795
77 GAP 0.6 0.87013
78 FYA 0.597938 0.881579
79 PTJ 0.597938 0.873418
80 ADP VO4 0.597826 0.906667
81 VO4 ADP 0.597826 0.906667
82 UP5 0.596154 0.896104
83 YAP 0.59596 0.871795
84 FA5 0.59596 0.883117
85 PAP 0.595506 0.958333
86 A4P 0.59434 0.823529
87 XAH 0.59 0.841463
88 4UU 0.588235 0.871795
89 AFH 0.588235 0.8625
90 9SN 0.585859 0.85
91 2A5 0.58427 0.894737
92 T5A 0.583333 0.821429
93 NAI 0.580952 0.884615
94 ITT 0.579545 0.917808
95 ATR 0.577778 0.944444
96 OMR 0.575472 0.831325
97 5AS 0.574713 0.781609
98 YLP 0.571429 0.8
99 48N 0.571429 0.873418
100 AP0 0.570093 0.873418
101 4TC 0.570093 0.873418
102 7D3 0.569767 0.881579
103 ADJ 0.568807 0.831325
104 GNP 0.568421 0.922078
105 DAL AMP 0.568421 0.881579
106 NXX 0.566038 0.907895
107 TXD 0.566038 0.884615
108 NAX 0.566038 0.851852
109 4UW 0.566038 0.839506
110 6V0 0.566038 0.873418
111 DND 0.566038 0.907895
112 XYA 0.565789 0.821918
113 ADN 0.565789 0.821918
114 RAB 0.565789 0.821918
115 AOC 0.564706 0.8
116 7D4 0.561798 0.881579
117 ADP BMA 0.561224 0.894737
118 TXE 0.560748 0.884615
119 TYM 0.560748 0.883117
120 YLB 0.555556 0.8
121 YLC 0.555556 0.819277
122 139 0.554545 0.851852
123 5N5 0.551282 0.797297
124 JB6 0.55 0.860759
125 LAQ 0.54717 0.819277
126 MYR AMP 0.544554 0.797619
127 A4D 0.544304 0.797297
128 5CD 0.544304 0.783784
129 7MD 0.542857 0.864198
130 6AD 0.542553 0.886076
131 A2R 0.541667 0.958904
132 UPA 0.541284 0.884615
133 YLA 0.540541 0.8
134 A A 0.54 0.918919
135 COD 0.539823 0.793103
136 BTX 0.539823 0.821429
137 G5A 0.537634 0.781609
138 CNA 0.535714 0.907895
139 AYB 0.535714 0.790698
140 3DH 0.535714 0.753247
141 BT5 0.535088 0.811765
142 ATP A A A 0.533981 0.905405
143 IOT 0.531532 0.811765
144 MTA 0.53012 0.753247
145 3AM 0.529412 0.90411
146 A3P 0.52809 0.944444
147 NAD 0.526316 0.906667
148 PPS 0.526316 0.851852
149 EP4 0.52439 0.734177
150 7D5 0.52381 0.855263
151 AMP DBH 0.52381 0.87013
152 J7C 0.522727 0.75
153 A5A 0.520833 0.809524
154 EAD 0.520661 0.851852
155 TSB 0.520408 0.821429
156 AHZ 0.518519 0.797619
157 M2T 0.518072 0.716049
158 DTA 0.518072 0.766234
159 A3D 0.517241 0.894737
160 6RE 0.517241 0.740741
161 YLY 0.516949 0.790698
162 SSA 0.515464 0.802326
163 NA7 0.514852 0.933333
164 TYR AMP 0.514286 0.858974
165 AR6 AR6 0.514019 0.893333
166 7MC 0.513514 0.843373
167 A2P 0.511111 0.930556
168 52H 0.510204 0.781609
169 VMS 0.510204 0.790698
170 54H 0.510204 0.790698
171 TAD 0.509259 0.8625
172 NAQ 0.508333 0.85
173 A3N 0.505618 0.766234
174 AV2 0.505155 0.893333
175 5CA 0.50505 0.802326
176 53H 0.50505 0.781609
177 ARU 0.504951 0.839506
178 ARG AMP 0.504587 0.809524
179 ZID 0.504132 0.894737
180 P1H 0.504 0.831325
181 3AT 0.5 0.945205
182 NAE 0.5 0.871795
183 AVV 0.5 0.873418
184 P5A 0.495146 0.747253
185 DSZ 0.49505 0.802326
186 LSS 0.49505 0.764045
187 NSS 0.49505 0.802326
188 N0B 0.491803 0.8
189 AF3 ADP 3PG 0.491071 0.817073
190 LA8 ALF 3PG 0.491071 0.817073
191 ALF ADP 3PG 0.491071 0.817073
192 NVA LMS 0.490196 0.764045
193 DAT 0.489362 0.881579
194 IMO 0.488889 0.90411
195 ZAS 0.488636 0.792208
196 FDA 0.488372 0.813953
197 NAJ PZO 0.487395 0.85
198 4TA 0.487179 0.788235
199 LPA AMP 0.486486 0.797619
200 LEU LMS 0.485437 0.764045
201 DTP 0.484536 0.881579
202 V3L 0.484536 0.945205
203 GJV 0.483516 0.731707
204 S4M 0.483516 0.651685
205 DZD 0.483051 0.8625
206 2AM 0.482759 0.917808
207 5AD 0.481013 0.726027
208 KAA 0.480769 0.755556
209 GSU 0.480769 0.781609
210 NDE 0.480315 0.907895
211 M24 0.479339 0.851852
212 MAO 0.478261 0.761905
213 DSH 0.477778 0.707317
214 NEC 0.477778 0.727273
215 FAD 0.477273 0.831325
216 FAS 0.477273 0.831325
217 RGT 0.476636 0.933333
218 0WD 0.474576 0.897436
219 G A A A 0.474576 0.85
220 FNK 0.474074 0.786517
221 5X8 0.473684 0.74359
222 6FA 0.473282 0.821429
223 FB0 0.472868 0.786517
224 NDC 0.472868 0.85
225 YSA 0.472222 0.781609
226 7DD 0.468085 0.958333
227 OVE 0.466667 0.881579
228 NAD IBO 0.466102 0.848101
229 MHZ 0.463158 0.701149
230 A3G 0.461538 0.779221
231 6C6 0.459184 0.858974
232 U A G G 0.458333 0.860759
233 SFG 0.458333 0.730769
234 7D7 0.45679 0.723684
235 128 0.45614 0.8
236 SFD 0.455224 0.736842
237 DDS 0.454545 0.855263
238 GDP 0.454545 0.896104
239 6IA 0.454545 0.817073
240 NJP 0.453782 0.921053
241 ODP 0.453782 0.886076
242 7DT 0.453608 0.958333
243 A7D 0.452632 0.75641
244 Z5A 0.452381 0.802326
245 WSA 0.452174 0.790698
246 7C5 0.45045 0.797468
247 FAY 0.449275 0.841463
248 NDP 0.449153 0.897436
249 A5D 0.44898 0.766234
250 SA8 0.44898 0.690476
251 NAJ PYZ 0.448 0.851852
252 71V 0.446809 0.884615
253 GGZ 0.446602 0.804878
254 RFL 0.446043 0.802326
255 2SA 0.445545 0.907895
256 AMP NAD 0.444444 0.858974
257 GP3 0.444444 0.897436
258 SAI 0.444444 0.716049
259 SAH 0.444444 0.725
260 A A A 0.443396 0.881579
261 PO4 PO4 A A A A PO4 0.443396 0.878378
262 4YB 0.442478 0.764045
263 GTP 0.441176 0.896104
264 SMM 0.441176 0.670455
265 S7M 0.441176 0.674419
266 Y3J 0.440476 0.706667
267 SAM 0.44 0.674419
268 649 0.439655 0.747253
269 12D 0.438596 0.809524
270 A3S 0.4375 0.789474
271 NPW 0.436975 0.864198
272 GCP 0.436893 0.873418
273 AAT 0.435644 0.690476
274 EEM 0.435644 0.674419
275 GNH 0.435644 0.909091
276 DCA 0.435484 0.804598
277 ETB 0.435484 0.813953
278 N6P 0.433962 0.890411
279 TXP 0.433333 0.897436
280 NZQ 0.433333 0.886076
281 PGS 0.43299 0.860759
282 APU 0.432203 0.871795
283 PUA 0.432 0.8625
284 62F 0.431655 0.841463
285 F2N 0.431507 0.795455
286 DA 0.430108 0.855263
287 D5M 0.430108 0.855263
288 J7V 0.429688 0.813953
289 NIA 0.428571 0.848101
290 6K6 0.428571 0.905405
291 A3T 0.428571 0.8
292 0T1 0.428571 0.804598
293 COA 0.428571 0.804598
294 P5F 0.427586 0.804598
295 AAM 0.425532 0.944444
296 0UM 0.424528 0.682353
297 G1R 0.423077 0.884615
298 AMZ 0.422222 0.891892
299 C2R 0.422222 0.88
300 A U 0.420168 0.848101
301 IDP 0.42 0.894737
302 GSP 0.419048 0.851852
303 COS 0.418605 0.786517
304 CAO 0.418605 0.777778
305 AMX 0.418605 0.813953
306 30N 0.418605 0.736842
307 DG1 0.418605 0.897436
308 1DG 0.418605 0.897436
309 TM1 0.418182 0.797619
310 A6D 0.416667 0.746988
311 K15 0.416667 0.666667
312 V1N 0.415929 0.893333
313 SCO 0.415385 0.804598
314 CMX 0.415385 0.804598
315 GEK 0.415094 0.719512
316 NHD 0.414634 0.881579
317 XNP 0.414634 0.851852
318 AIR 0.413793 0.876712
319 COK 0.413534 0.786517
320 G2R 0.412844 0.8625
321 FCX 0.412214 0.777778
322 FAM 0.412214 0.786517
323 ACO 0.412214 0.777778
324 NAP 0.410853 0.92
325 CNV FAD 0.409722 0.775281
326 FA9 0.409396 0.843373
327 SXZ 0.409091 0.694118
328 HAX 0.409091 0.806818
329 PLP AAD 0.408 0.744444
330 TAP 0.407692 0.884615
331 2MC 0.407407 0.752688
332 62X 0.407407 0.651685
333 GKE 0.40708 0.8625
334 GDD 0.40708 0.8625
335 GDC 0.40708 0.8625
336 FYN 0.406015 0.804598
337 3KK 0.406015 0.786517
338 U G A 0.405797 0.819277
339 NA0 0.40458 0.907895
340 101 0.404255 0.855263
341 G 0.40404 0.883117
342 5GP 0.40404 0.883117
343 MGP 0.403846 0.8625
344 MCD 0.402985 0.786517
345 OXK 0.402985 0.786517
346 CA6 0.402985 0.714286
347 SOP 0.402985 0.786517
348 3AD 0.402299 0.783784
349 S8M 0.401869 0.78481
350 YE1 0.40146 0.795455
351 1VU 0.4 0.777778
352 2VA 0.4 0.779221
353 CMC 0.4 0.786517
354 7RP 0.4 0.902778
355 GMV 0.4 0.873418
356 6G0 0.4 0.8625
357 CO6 0.4 0.786517
358 NMX 0.4 0.782609
Ligand no: 3; Ligand: ATM; Similar ligands found: 52
No: Ligand ECFP6 Tc MDL keys Tc
1 ATM 1 1
2 AZD 0.813333 0.986667
3 ABT 0.753086 0.961039
4 AZZ 0.728571 0.88
5 TMP 0.64 0.906667
6 NYM 0.61039 0.907895
7 FDM 0.61039 0.871795
8 THP 0.602564 0.918919
9 TYD 0.542169 0.894737
10 T3P 0.525641 0.893333
11 2DT 0.525641 0.906667
12 Z5A 0.517241 0.847059
13 TTP 0.517241 0.894737
14 LLT 0.513514 0.779221
15 THM 0.513514 0.779221
16 TBD 0.494253 0.884615
17 ATY 0.488889 0.871795
18 0DN 0.480519 0.766234
19 DT DT DT 0.467391 0.857143
20 5HU 0.464286 0.87013
21 DAU 0.46 0.8375
22 TLO 0.453608 0.848101
23 UFP 0.452381 0.835443
24 1JB 0.45 0.8375
25 TDX 0.45 0.848101
26 18T 0.45 0.8375
27 TRH 0.45 0.8375
28 BRU 0.447059 0.835443
29 0FX 0.446602 0.839506
30 5IU 0.44186 0.835443
31 T3Q 0.441176 0.839506
32 T3F 0.441176 0.839506
33 QDM 0.438095 0.829268
34 T46 0.436893 0.8375
35 3R2 0.435644 0.82716
36 TXS 0.435294 0.75
37 1YF 0.433962 0.85
38 FNF 0.433962 0.85
39 MMF 0.432692 0.839506
40 DT DT DT DT DT 0.431373 0.896104
41 4TG 0.429907 0.85
42 D3T 0.428571 0.894737
43 3YN 0.427184 0.8375
44 DWN 0.427184 0.839506
45 T3S 0.425287 0.75
46 D4M 0.423529 0.864865
47 0N2 0.423077 0.829268
48 AKM 0.420561 0.821429
49 JHZ 0.420561 0.819277
50 TPE 0.417476 0.82716
51 BVP 0.413043 0.87013
52 DT DT PST 0.40566 0.8375
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NN5; Ligand: ANP; Similar sites found: 712
This union binding pocket(no: 1) in the query (biounit: 1nn5.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BZ1 TAU 0.00329 0.49094 None
2 4N7C AEF 0.0007625 0.48679 None
3 1UO5 PIH 0.007342 0.47102 None
4 1A4R GNH 0.0007024 0.46531 None
5 2XRH NIO 0.003483 0.45493 None
6 1KO8 6PG 0.000003667 0.4539 None
7 1JAC AMG 0.01067 0.45278 None
8 1A4R GDP 0.001092 0.45226 None
9 1UO4 PIH 0.0117 0.45059 None
10 2OFE NAG 0.003405 0.44874 None
11 3R51 MMA 0.01106 0.44405 None
12 1ZUI SKM 0.00006652 0.44387 None
13 1Q3P GLU ALA GLN THR ARG LEU 0.001808 0.44324 None
14 2OFD NGA 0.005759 0.43809 None
15 1F5F DHT 0.000607 0.43704 None
16 2W3L DRO 0.01939 0.43125 None
17 2BOI MFU 0.004853 0.43019 None
18 3IIJ ADP 0.000002608 0.42463 None
19 1Y9Q MED 0.01173 0.42365 None
20 3SJ0 DXC 0.01578 0.42314 None
21 3PNA CMP 0.006901 0.41862 None
22 1C1L GAL BGC 0.01973 0.41843 None
23 3MJH GTP 0.002599 0.41837 None
24 1Y75 NAG 0.008108 0.41565 None
25 1I36 NAP 0.0009845 0.41344 None
26 1LNX URI 0.01232 0.41248 None
27 1MZV AMP 0.00803 0.41135 None
28 1UW1 ADP 0.01727 0.41071 None
29 2ALG HP6 0.002045 0.40636 None
30 2ALG DAO 0.002045 0.40636 None
31 6FIV 3TL 0.006822 0.40592 None
32 1S8F GDP 0.004999 0.40125 None
33 1YRB GDP 0.0004221 0.48034 0.930233
34 1VE3 SAM 0.001819 0.41173 0.930233
35 1YVD GNP 0.004419 0.4089 1.18343
36 4F8L GAL 0.02058 0.44535 1.37931
37 1G6H ADP 0.000004582 0.63494 1.39535
38 2PL3 ADP 0.001142 0.48029 1.39535
39 1FP6 ADP 0.0004453 0.47925 1.39535
40 4HZO COA 0.008155 0.42033 1.39535
41 3LM9 ADP 0.00567 0.41317 1.39535
42 3KYF 5GP 5GP 0.01454 0.40072 1.39535
43 2JAQ DCP 0.00008669 0.48759 1.46341
44 3VPQ GSH 0.0267 0.4021 1.47059
45 1H8P PC 0.01414 0.43845 1.83486
46 2OBM ADP 0.002009 0.48244 1.86047
47 2Q3M MLA 0.00402 0.46704 1.86047
48 2OM2 GDP 0.0006053 0.45959 1.86047
49 1Y3A GDP 0.0007819 0.44692 1.86047
50 3B9Z CO2 0.00742 0.43294 1.86047
51 4AQL TXC 0.001276 0.4252 1.86047
52 1ZUW DGL 0.005602 0.42246 1.86047
53 3L0E G58 0.0004286 0.41091 1.86047
54 1ECC PCP 0.001005 0.4096 1.86047
55 1BH2 GSP 0.003594 0.40426 1.86047
56 1V5F FAD 0.02274 0.40402 1.86047
57 1V5F TPP 0.02274 0.40402 1.86047
58 1SVK ALF GDP 0.002539 0.40104 1.86047
59 2YDW WSH 0.00353 0.42602 1.96078
60 4DID GDP 0.0004997 0.48722 1.97368
61 2F9L GDP 0.003447 0.41947 2.01005
62 1GXU 2HP 0.001342 0.48403 2.1978
63 3LRE ADP 0.00001236 0.60526 2.32558
64 1XP8 AGS 0.0001944 0.52003 2.32558
65 3MCT 3MC 0.0009243 0.46162 2.32558
66 1GVF PGH 0.001183 0.45695 2.32558
67 5TSH ADP 0.04212 0.4298 2.32558
68 5TSH ANP 0.03171 0.42678 2.32558
69 3MAG 3MA 0.03578 0.42387 2.32558
70 3P7I P7I 0.008698 0.41911 2.32558
71 1TFZ 869 0.001157 0.41858 2.32558
72 2P41 G1G 0.007682 0.41665 2.32558
73 1T26 GBD 0.004055 0.41609 2.32558
74 1T26 NAI 0.004055 0.41609 2.32558
75 4E28 9MZ 0.01817 0.41472 2.32558
76 3I8P 840 0.003463 0.41321 2.32558
77 1L2T ATP 0.004705 0.41068 2.32558
78 1P3D ANP 0.01122 0.40337 2.32558
79 4C6F DOR 0.01277 0.40305 2.32558
80 4C6F NCD 0.01277 0.40305 2.32558
81 1R5A GTS 0.0175 0.40145 2.32558
82 4E28 0MZ 0.02896 0.40049 2.32558
83 1WVG CXY 0.002437 0.40038 2.32558
84 1EK0 GNP 0.00261 0.4183 2.35294
85 3K3K A8S 0.003211 0.40312 2.36967
86 4K7O EKZ 0.02721 0.41161 2.38095
87 1Q11 TYE 0.01296 0.41151 2.41935
88 1JJV ATP 0.00003037 0.57431 2.42718
89 3W5J GDP 0.000002047 0.64783 2.45098
90 2VQ5 LDP 0.0009751 0.49914 2.48756
91 2VQ5 HBA 0.002802 0.4595 2.48756
92 3UIE ANP 0.00007418 0.52179 2.5
93 3UIE ADX 0.008408 0.40239 2.5
94 1KMQ GNP 0.003251 0.42055 2.71739
95 5FIT AP2 0.003526 0.42141 2.72109
96 2WHX ADP 0.00003858 0.57109 2.7907
97 3TKA CTN 0.0009218 0.52165 2.7907
98 1V8K ANP 0.0003698 0.49944 2.7907
99 4P4T GDP 0.0002546 0.48083 2.7907
100 2QZ4 ADP 0.0005855 0.4786 2.7907
101 5CK5 GDP 0.0048 0.47648 2.7907
102 2IZ1 ATR 0.001837 0.46123 2.7907
103 3ZGE ASP 0.004257 0.45785 2.7907
104 1CKN GTP 0.001512 0.44653 2.7907
105 1OIK AKG 0.0041 0.44497 2.7907
106 1I0Z OXM 0.01649 0.43494 2.7907
107 3FVQ ATP 0.003533 0.42566 2.7907
108 2FOI JPA 0.005204 0.4191 2.7907
109 1OYY AGS 0.01457 0.41885 2.7907
110 5EQU AKG 0.02573 0.41849 2.7907
111 3O7B SAH 0.002116 0.41319 2.7907
112 4W6Z ETF 0.04862 0.41009 2.7907
113 3ANK NG6 GCD 0.009147 0.40902 2.7907
114 4F2Q QUS 0.006722 0.40616 2.7907
115 3DER ALA LYS 0.002282 0.40474 2.7907
116 2NZ2 ASP 0.01935 0.40387 2.7907
117 1CKM GTP 0.003523 0.40172 2.7907
118 4M37 SAH 0.003537 0.40166 2.7907
119 3QDW A2G 0.00086 0.50199 2.7972
120 3QDT A2G GAL 0.0005619 0.50195 2.7972
121 3QDY A2G GAL 0.0007628 0.4953 2.7972
122 3QDY CBS 0.006201 0.44282 2.7972
123 3QDW NDG 0.01023 0.43229 2.7972
124 1FMB HYB 0.004608 0.41677 2.88462
125 4L6C 0BT 0.0006813 0.41875 2.9703
126 1BO4 COA 0.007976 0.43211 2.97619
127 3BC1 GNP 0.003863 0.4113 3.07692
128 1I1Q TRP 0.001541 0.44618 3.125
129 4K30 NLG 0.007077 0.42303 3.125
130 1YOA FMN 0.01607 0.45153 3.14465
131 1H8G CHT 0.01752 0.44937 3.15789
132 3BD9 A3P 0.01253 0.41818 3.21429
133 2AWN ADP 0.000002324 0.65739 3.25581
134 3BOS CDP 0.0001098 0.52603 3.25581
135 1DXY COI 0.002639 0.47658 3.25581
136 1RYI GOA 0.006217 0.47359 3.25581
137 1WDT GTP 0.0007966 0.45845 3.25581
138 3DX5 DHB 0.0006175 0.45709 3.25581
139 3B7G ANP 0.002307 0.45448 3.25581
140 1B0U ATP 0.001614 0.45291 3.25581
141 3CBG FER 0.009565 0.44735 3.25581
142 3RC3 ANP 0.006127 0.44254 3.25581
143 3CBG 4FE 0.01658 0.44229 3.25581
144 5M04 GDP 0.02008 0.4417 3.25581
145 1GJW GLC 0.008368 0.43652 3.25581
146 1IN4 ADP 0.002457 0.43635 3.25581
147 4LJ9 ACP 0.00662 0.43621 3.25581
148 2IXE ATP 0.002087 0.4322 3.25581
149 2CHG ANP 0.004308 0.42896 3.25581
150 3K5X P8D 0.00311 0.42828 3.25581
151 1GJW MAL 0.003442 0.42647 3.25581
152 2EB5 OXL 0.01186 0.42341 3.25581
153 2PNZ 5GP 0.008507 0.41477 3.25581
154 1B4P GPS 0.001916 0.41474 3.25581
155 4NAO AKG 0.02465 0.41371 3.25581
156 1F5N GNP 0.00306 0.41253 3.25581
157 4KCT PYR 0.009658 0.41243 3.25581
158 4IXW IXW 0.01017 0.41148 3.25581
159 3EE4 MYR 0.00161 0.40989 3.25581
160 2XZ9 PYR 0.03695 0.40882 3.25581
161 4IVG ANP 0.00113 0.40794 3.25581
162 4KGM ATP 0.00808 0.40703 3.25581
163 3CBG SAH 0.005081 0.40316 3.25581
164 3VCA PRO 0.02527 0.40094 3.25581
165 2FH5 GTP 0.0007831 0.45464 3.27103
166 3I6B KDO 0.007072 0.42304 3.33333
167 4Q3F TLA 0.01619 0.40959 3.4188
168 5RHN 8BR 0.002634 0.41769 3.47826
169 2JAR UMP 0.001057 0.42397 3.5
170 3BY8 MLT 0.009578 0.43368 3.52113
171 3LXR GDP 0.0005486 0.47996 3.64583
172 1E96 GTP 0.00659 0.40176 3.64583
173 1UAY ADN 0.003212 0.41861 3.71901
174 1KK1 GNP 0.00004485 0.55293 3.72093
175 4IEE AGS 0.0004638 0.50052 3.72093
176 1JWY ADP 0.000302 0.49799 3.72093
177 1G3Q ADP 0.0003905 0.49249 3.72093
178 3EZ2 ADP 0.0006729 0.49216 3.72093
179 1JWY GDP 0.0002868 0.48825 3.72093
180 2VDJ HSE 0.00252 0.46928 3.72093
181 4M51 BEZ 0.003018 0.46535 3.72093
182 3GJB AKG 0.000624 0.46278 3.72093
183 2Z9V PXM 0.001112 0.45812 3.72093
184 3PMA SCR 0.001153 0.45743 3.72093
185 1QH9 LAC 0.003326 0.44921 3.72093
186 4B9E FAH 0.004839 0.44803 3.72093
187 3E5P PPI 0.01868 0.44586 3.72093
188 1WRA PC 0.00556 0.44511 3.72093
189 3WCS MAN NAG 0.002528 0.44256 3.72093
190 4COQ SAN 0.004658 0.44239 3.72093
191 1B74 DGN 0.009474 0.4404 3.72093
192 1Y42 TYR 0.00311 0.43863 3.72093
193 3NNF AKG 0.005716 0.43824 3.72093
194 1RZM E4P 0.00788 0.43778 3.72093
195 5GJC ATP 0.02067 0.43702 3.72093
196 1H65 GDP 0.001712 0.43593 3.72093
197 4CCN OGA 0.00686 0.43454 3.72093
198 2OHV NHL 0.003817 0.42952 3.72093
199 4ME6 ADP 0.008797 0.42399 3.72093
200 2GWD GLU 0.006102 0.42089 3.72093
201 2NVK NAP 0.008122 0.42041 3.72093
202 3ZUY TCH 0.004958 0.41996 3.72093
203 3V1V GST 0.001881 0.41901 3.72093
204 2PUL ACP 0.002485 0.41865 3.72093
205 4NON GDP 0.002017 0.41688 3.72093
206 4IMG NGF 0.001326 0.41652 3.72093
207 1V6A TRE 0.0133 0.41586 3.72093
208 1PX8 XYP 0.01399 0.41486 3.72093
209 4PPU TYR 0.01296 0.41152 3.72093
210 2PT9 2MH 0.0004427 0.40664 3.72093
211 1CS4 GSP 0.003952 0.4053 3.72093
212 1NNS ASP 0.0113 0.40524 3.72093
213 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.003861 0.40385 3.72093
214 1IM8 SAI 0.003131 0.40006 3.72093
215 1BTN I3P 0.0001893 0.57181 3.77358
216 3GM5 CIT 0.03256 0.40278 3.77358
217 2EFE GNH 0.0006963 0.4701 3.8674
218 2Q37 3AL 0.006637 0.42952 3.8674
219 1ULE GLA GAL NAG 0.01125 0.43663 4
220 4NPT 017 0.002185 0.43458 4.0404
221 3SCH TB6 0.01397 0.42008 4.0404
222 4TTQ ATP 0.0000004649 0.64568 4.18605
223 1YQT ADP 0.0000847 0.55157 4.18605
224 1HFA PIO 0.00113 0.51167 4.18605
225 4HSE ADP 0.0003265 0.49632 4.18605
226 1WTC ACP 0.000634 0.49066 4.18605
227 2DPY ADP 0.001242 0.48428 4.18605
228 1Z45 GAL 0.0007792 0.46485 4.18605
229 1O9U ADZ 0.006002 0.45795 4.18605
230 1E2K TMC 0.0000133 0.4534 4.18605
231 1K6M AGS 0.0008307 0.4458 4.18605
232 2JBH 5GP 0.002039 0.44104 4.18605
233 2ZTS ADP 0.002053 0.43987 4.18605
234 2HFK E4H 0.004387 0.4321 4.18605
235 3BRE C2E 0.008673 0.42978 4.18605
236 1F8I GLV 0.01735 0.4284 4.18605
237 1FNN ADP 0.003857 0.42749 4.18605
238 4NCN GTP 0.002412 0.42608 4.18605
239 4NM5 ADP 0.0004424 0.42497 4.18605
240 4TMZ GSP 0.002601 0.42468 4.18605
241 2BH9 NAP 0.002437 0.41896 4.18605
242 2GN2 C5P 0.03911 0.41563 4.18605
243 1Z45 UPG 0.001846 0.41531 4.18605
244 2HEK GDP 0.006629 0.41477 4.18605
245 4CIB 7UZ 0.01805 0.40984 4.18605
246 1EYQ NAR 0.01198 0.40846 4.18605
247 4G86 BNT 0.042 0.40835 4.18605
248 3I7S PYR 0.0435 0.40686 4.18605
249 4WX0 HXD 0.006059 0.40403 4.18605
250 2C2A ADP 0.005709 0.40129 4.18605
251 4AF5 CIT 0.03564 0.40092 4.21053
252 3S9K CIT 0.0001282 0.57636 4.23729
253 3RF4 FUN 0.005332 0.4284 4.31034
254 1M7B GTP 0.001375 0.44382 4.34783
255 1YFZ IMP 0.002313 0.45017 4.39024
256 3RGG AIR 0.0146 0.40065 4.40252
257 2Q1A 2KT 0.001038 0.47277 4.65116
258 2QGI UDP 0.0007759 0.47153 4.65116
259 4D81 ADP 0.006503 0.45227 4.65116
260 1TQ4 GDP 0.001026 0.44944 4.65116
261 1OS1 PYR 0.0002188 0.4482 4.65116
262 1OS1 ATP 0.0002773 0.44758 4.65116
263 1OE0 TTP 0.00008352 0.4433 4.65116
264 2XDQ MGX 0.01768 0.43336 4.65116
265 3QO8 SSA 0.00121 0.43043 4.65116
266 1ZGA HMK 0.002199 0.42958 4.65116
267 1QR0 COA 0.003691 0.42523 4.65116
268 1QZZ SAM 0.002241 0.42467 4.65116
269 1P1M MET 0.0004719 0.42404 4.65116
270 5LB3 ADP 0.04858 0.41999 4.65116
271 3E6J DR2 0.04173 0.41681 4.65116
272 3W54 RNB 0.004195 0.41411 4.65116
273 2P69 PLP 0.01554 0.4128 4.65116
274 4WZA ACP 0.006993 0.41269 4.65116
275 4WZA ADP 0.006993 0.41269 4.65116
276 3ICC NAP 0.00009253 0.41157 4.65116
277 1OYB FMN 0.0009357 0.4106 4.65116
278 1ZGA SAH 0.005748 0.4088 4.65116
279 1A59 COA 0.003557 0.40513 4.65116
280 1OYB HBA 0.0007794 0.40307 4.65116
281 3QKT ANP 0.008256 0.40044 4.65116
282 1NF3 GNP 0.005804 0.40403 4.6875
283 2YLD CMO 0.015 0.41863 4.72441
284 1Z2A GDP 0.001689 0.43267 4.7619
285 4INB 1F6 0.001524 0.41442 4.79452
286 2ZEJ GDP 0.003323 0.41108 4.8913
287 3F81 STT 0.0002392 0.53097 4.91803
288 1GRN GDP 0.001175 0.455 4.92611
289 1TX4 ALF GDP 0.004361 0.41511 5.05051
290 1Z0J GTP 0.006152 0.40028 5.08475
291 2ZWS PLM 0.001171 0.51654 5.11628
292 4WZ6 ATP 0.008857 0.47072 5.11628
293 4M9Q GNP 0.000356 0.46554 5.11628
294 3FKQ ATP 0.001278 0.45332 5.11628
295 2YIV NBN 0.00776 0.43811 5.11628
296 1Q6O LG6 0.0009387 0.43458 5.11628
297 3DZD ADP 0.00479 0.43062 5.11628
298 2FGQ MLT 0.008511 0.43016 5.11628
299 1FP2 SAH 0.001793 0.42842 5.11628
300 2YIV YIV 0.01681 0.42785 5.11628
301 3PXP MYR 0.001143 0.42695 5.11628
302 4RJK PYR 0.02401 0.42 5.11628
303 3BFX A3P 0.008244 0.41255 5.11628
304 2JC9 ADN 0.01388 0.41021 5.11628
305 3L6R MLI 0.03101 0.40883 5.11628
306 5XHA FRU FRU 0.009692 0.40798 5.11628
307 3DG6 MUC 0.007192 0.40502 5.11628
308 3OCZ SRA 0.004526 0.405 5.11628
309 3H86 AP5 0.00007647 0.46686 5.20833
310 2A5J GDP 0.0003649 0.48848 5.2356
311 1JH7 UVC 0.01763 0.41031 5.29101
312 1KAO GDP 0.001598 0.44885 5.38922
313 4JCA CIT 0.01372 0.44679 5.38922
314 1Y1A GSH 0.0008525 0.52571 5.46448
315 2FR6 CTN 0.002997 0.40779 5.47945
316 1ECM TSA 0.0004378 0.46928 5.50459
317 1TH8 ADP 0.003766 0.42487 5.51724
318 2QG6 NMN 0.00002565 0.49195 5.52764
319 3CNL GNP 0.00002229 0.56862 5.5814
320 4DCT GDP 0.0001409 0.51429 5.5814
321 1Z42 HBA 0.003121 0.48964 5.5814
322 1Z44 NPO 0.006723 0.47321 5.5814
323 2W8Q SIN 0.006486 0.44188 5.5814
324 1UF5 CDT 0.001581 0.44034 5.5814
325 3ZPG 5GP 0.01326 0.43991 5.5814
326 4LIT AKG 0.005714 0.43245 5.5814
327 2Q8H TF4 0.03138 0.42021 5.5814
328 3CEV ARG 0.007077 0.41816 5.5814
329 1A4K FRA 0.01249 0.41709 5.5814
330 4C2G ALA ALA ALA ALA 0.007582 0.41689 5.5814
331 4DYO SD4 0.008606 0.41456 5.5814
332 4L7I SAM 0.003315 0.40998 5.5814
333 4GOX A3P 0.005881 0.40956 5.5814
334 1Z41 FMN 0.004372 0.40938 5.5814
335 4LHM AZZ 0.01889 0.40894 5.5814
336 1GQY ACP 0.01415 0.40837 5.5814
337 1Z44 FMN 0.006307 0.40724 5.5814
338 1B5E DCM 0.01294 0.40703 5.5814
339 1WQ1 GDP 0.007685 0.4046 5.5814
340 2GWH A3P 0.01623 0.40228 5.5814
341 3REF GDP 0.003021 0.42522 5.6701
342 2ZSC BTN 0.006339 0.40715 5.67376
343 1MQ0 BRD 0.005308 0.41015 5.71429
344 3DEF GDP 0.0004777 0.47781 5.72519
345 3T2W BTN 0.004476 0.42179 5.7377
346 3BHO B4P 0.02377 0.43369 5.76923
347 1JGS SAL 0.0005389 0.53575 5.7971
348 4LFL TG6 0.00231 0.43358 5.81395
349 1ZJ6 G3D 0.0000122 0.56663 5.88235
350 1M6P M6P 0.04486 0.40121 5.92105
351 1HE1 GDP 0.002572 0.43177 5.92593
352 3EW2 BTN 0.01347 0.4063 5.92593
353 3QP4 HL0 0.0008865 0.43552 6.04396
354 1JJ7 ADP 0.000003299 0.64435 6.04651
355 2XT3 ADP 0.000038 0.57586 6.04651
356 3IHB TRS 0.0008448 0.53308 6.04651
357 4LPS GDP 0.00006847 0.52973 6.04651
358 3GJ4 GDP 0.0001432 0.52021 6.04651
359 2GDJ ANP 0.0002429 0.50864 6.04651
360 3GJ8 GDP 0.0001851 0.50847 6.04651
361 3GJ5 GDP 0.0001869 0.50825 6.04651
362 2CW6 3HG 0.00101 0.49834 6.04651
363 1XX4 BAM 0.001424 0.49057 6.04651
364 3U1T MLI 0.0035 0.45483 6.04651
365 1C3V PDC 0.002668 0.44737 6.04651
366 2BCG GDP 0.001706 0.44351 6.04651
367 2VAR KDF 0.002455 0.42768 6.04651
368 2C9O ADP 0.003766 0.42443 6.04651
369 2VAR AMP 0.004464 0.42183 6.04651
370 2BEK ATP 0.005962 0.41238 6.04651
371 2VAR KDG 0.005941 0.41237 6.04651
372 3IHB GLU 0.0279 0.41108 6.04651
373 2OWZ CIT 0.0221 0.41072 6.04651
374 1D2N ANP 0.007919 0.4101 6.04651
375 3FYH ADP 0.00489 0.40998 6.04651
376 1HQL GLA MBG 0.03568 0.40584 6.04651
377 1YZG GDP 0.00001054 0.40717 6.14525
378 4EXO PYR 0.0008355 0.49332 6.16438
379 3UEC ALA ARG TPO LYS 0.005499 0.44535 6.16438
380 1QF9 C5P 0.000001059 0.49834 6.18557
381 1QF9 ADP 0.001398 0.43262 6.18557
382 1QF9 ALF 0.001398 0.43262 6.18557
383 1EJE FMN 0.001356 0.42011 6.25
384 3W8S GSH 0.01944 0.40838 6.31068
385 1XPJ TLA 0.01566 0.43219 6.34921
386 1GOJ ADP 0.000006294 0.62579 6.51163
387 4MKF AP5 0.0000001947 0.57662 6.51163
388 1G8S MET 0.00009908 0.5203 6.51163
389 1G7S GDP 0.0001875 0.50818 6.51163
390 1AKY AP5 0.0000005937 0.50002 6.51163
391 2HF9 GSP 0.0001584 0.49513 6.51163
392 1D2E GDP 0.000302 0.48719 6.51163
393 4M5P 23W 0.002886 0.46633 6.51163
394 2G77 GDP 0.0007137 0.46499 6.51163
395 2ZE3 AKG 0.001669 0.45655 6.51163
396 1ZED PNP 0.003343 0.4558 6.51163
397 4M5P MLA 0.01256 0.44889 6.51163
398 2C78 GNP 0.001048 0.44518 6.51163
399 1G4U GDP 0.002062 0.43978 6.51163
400 2G77 AF3 0.01113 0.43767 6.51163
401 4YMU ATP 0.02649 0.43492 6.51163
402 3L24 GOA 0.01773 0.43329 6.51163
403 1M1B SPV 0.006447 0.43009 6.51163
404 1IHU AF3 0.003174 0.42428 6.51163
405 1IHU ADP 0.004294 0.41539 6.51163
406 3VX3 ADP 0.007479 0.41447 6.51163
407 1UJ2 C5P 0.0006666 0.40994 6.51163
408 1UJ2 ADP 0.0007784 0.40773 6.51163
409 3AYS CT3 0.0116 0.40476 6.51163
410 1EYE PMM 0.01003 0.40327 6.51163
411 1WHT BZS 0.007482 0.43278 6.53595
412 3PMD 11A 0.002951 0.42922 6.53595
413 4DSU GDP 0.006126 0.40035 6.87831
414 1UKZ ADP 0.0000004549 0.54986 6.89655
415 1NP0 NGT 0.0113 0.42439 6.89655
416 2WJG GDP 0.0000943 0.52936 6.91489
417 3A4M ADP 0.000002172 0.63043 6.97674
418 3FB4 AP5 0.0000002888 0.56827 6.97674
419 4MKG AP5 0.0000003785 0.5637 6.97674
420 3B5J 12D 0.000123 0.53753 6.97674
421 1ZIN AP5 0.0000003333 0.49639 6.97674
422 1KTC NGA 0.0004256 0.4763 6.97674
423 1U0J ADP 0.00149 0.47431 6.97674
424 4KSY 1SY 0.0006019 0.46344 6.97674
425 3RKR NAP 0.0005162 0.46028 6.97674
426 4P32 ADP 0.002135 0.43177 6.97674
427 2JFV FLC 0.008798 0.42948 6.97674
428 2C04 GCP 0.00506 0.42573 6.97674
429 3ZF8 GDP 0.004554 0.42148 6.97674
430 3LST SAH 0.003092 0.41926 6.97674
431 2YP9 SIA CMO 0.00372 0.41006 6.97674
432 2C5S AMP 0.013 0.40694 6.97674
433 2BO4 FLC 0.03568 0.40584 6.97674
434 1QDS PGA 0.0144 0.40089 6.97674
435 1X8X TYR 0.01506 0.40009 6.97674
436 4GO7 THR 0.006417 0.41535 7
437 1F6B GDP 0.00002327 0.55281 7.07071
438 1NXJ GLV 0.003567 0.43076 7.10383
439 1Y13 BIO 0.00389 0.42429 7.18232
440 3WBF NAP 0.0004138 0.40486 7.21311
441 3WBF API 0.0001545 0.40316 7.21311
442 1N9L FMN 0.0001898 0.45064 7.33945
443 1CBF SAH 0.001282 0.42948 7.36842
444 1XE7 GUN 0.005376 0.46045 7.38916
445 5BQ5 ADP BEF 0.008147 0.451 7.40741
446 2NGR GDP 0.0003225 0.49658 7.44186
447 1X6V ADP 0.00007496 0.46969 7.44186
448 3DKP ADP 0.001814 0.4646 7.44186
449 4HI0 GDP 0.000727 0.45607 7.44186
450 4H1V GNP 0.001854 0.44587 7.44186
451 3BFV ADP 0.01845 0.43973 7.44186
452 4A6D SAM 0.0003236 0.43787 7.44186
453 2DWU DGL 0.002442 0.43772 7.44186
454 4JP3 CIT 0.001983 0.43138 7.44186
455 1QB7 ADE 0.004269 0.42263 7.44186
456 3B1F NAD 0.0005229 0.42256 7.44186
457 1F1V DHY 0.005813 0.42178 7.44186
458 3SIX GDP 0.005291 0.41438 7.44186
459 1PL6 NAD 0.001273 0.40975 7.44186
460 1I4D GDP 0.0002361 0.51567 7.58929
461 1Z83 AP5 0.000005667 0.4912 7.65306
462 1B7T ADP 0.001194 0.4637 7.69231
463 2UZ2 BTN 0.00553 0.40553 7.69231
464 1FZQ GDP 0.00001258 0.57347 7.73481
465 1YTM ATP 0.0002681 0.47525 7.90698
466 1C7S CBS 0.0008174 0.44672 7.90698
467 3Q9L ATP 0.00333 0.43413 7.90698
468 2HW1 FRU 0.007225 0.42785 7.90698
469 3CX8 GSP 0.002155 0.41292 7.90698
470 1ZCB GDP 0.00068 0.40586 7.90698
471 2DTX BMA 0.0008312 0.40479 7.90698
472