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Receptor
PDB id Resolution Class Description Source Keywords
1E2E 2 Å EC: 2.7.4.9 HUMAN THYMIDYLATE KINASE COMPLEXED WITH THYMIDINE MONOPHOSPHATE, ADENOSINE DIPHOSPHATE,A MAGNESIUM-ION AND A LF3 HOMO SAPIENS THYMIDYLATE KINASE P-LOOP
Ref.: INSIGHTS INTO THE PHOSPHORYLTRANSFER MECHANISM OF HUMAN THYMIDYLATE KINASE GAINED FROM CRYSTAL STRUCTURES OF ENZYME COMPLEXES ALONG THE REACTION COORDINATE STRUCTURE V. 8 629 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(...
AF3 A:901;
Valid;
none;
submit data
83.977 Al F3 F[Al]...
MG A:401;
A:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
TMP A:301;
Valid;
none;
submit data
322.208 C10 H15 N2 O8 P CC1=C...
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 10 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 10 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 (54)
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 2CCJ - TMP C10 H15 N2 O8 P CC1=CN(C(=....
11 2CCG - TMP C10 H15 N2 O8 P CC1=CN(C(=....
12 4HDC ic50 = 1.2 nM 13Y C28 H32 Cl N3 O5 CC1=CN(C(=....
13 4HEJ ic50 = 24000 nM 14D C24 H24 F3 N3 O3 CC1=CN(C(=....
14 4GSY ic50 = 120 nM 0Y5 C25 H24 F3 N3 O5 CC1=CN(C(=....
15 4HLC ic50 = 174 nM T05 C24 H25 N3 O7 S Cc1cccc(c1....
16 4TMK Kd = 20 nM T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
17 1E2Q - TMP C10 H15 N2 O8 P CC1=CN(C(=....
18 1E9C - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
19 1NN0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
20 1E2G - TMP C10 H15 N2 O8 P CC1=CN(C(=....
21 1NN1 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
22 1NMX - FDM C10 H14 F N2 O7 P CC1=CN(C(=....
23 1E2E - AF3 Al F3 F[Al](F)F
24 1NN5 - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
25 1E9B - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
26 1E2D - TMP C10 H15 N2 O8 P CC1=CN(C(=....
27 1E99 - ATM C10 H14 N5 O7 P CC1=CN(C(=....
28 1NMY - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
29 2XX3 - TAE C9 H14 N2 O8 P2 CC1=CN(C(=....
30 1NMZ - NYM C10 H16 N3 O7 P CC1=CN(C(=....
31 1E9D - ATM C10 H14 N5 O7 P CC1=CN(C(=....
32 1NN3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
33 1E9A - Z5A C20 H24 N10 O22 P5 CC1=CN(C(=....
34 1E9F - TMP C10 H15 N2 O8 P CC1=CN(C(=....
35 1E9E - TMP C10 H15 N2 O8 P CC1=CN(C(=....
36 1E98 - ATM C10 H14 N5 O7 P CC1=CN(C(=....
37 1E2F - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
38 2TMK - ATM C10 H14 N5 O7 P CC1=CN(C(=....
39 3TMK Kd = 135 nM T5A C20 H30 N7 O23 P5 CC1=CN(C(=....
40 1TMK - TMP C10 H15 N2 O8 P CC1=CN(C(=....
41 5X8C - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
42 5ZB4 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
43 5ZAX - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
44 5X86 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
45 5X8B - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
46 3UWO ic50 = 20 uM 0DJ C14 H12 N4 O2 CN1c2cc(cn....
47 3UXM ic50 = 17 uM 0DN C10 H13 F N2 O4 CC1=CN(C(=....
48 5UIV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
49 5XB2 - TMP C10 H15 N2 O8 P CC1=CN(C(=....
50 5XB3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
51 5XAI - TMP C10 H15 N2 O8 P CC1=CN(C(=....
52 5H56 - TYD C10 H16 N2 O11 P2 CC1=CN(C(=....
53 5H5B - FLC C6 H5 O7 C(C(=O)[O-....
54 5H5K - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 452
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 HEJ 0.9 1
3 ATP 0.9 1
4 A2D 0.895522 0.971831
5 5FA 0.887324 1
6 AQP 0.887324 1
7 AP5 0.884058 0.971831
8 B4P 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AN2 0.84507 0.985915
11 AT4 0.84507 0.958904
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 A 0.823529 0.971429
15 AMP 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 APR 0.810811 0.971831
19 AR6 0.810811 0.971831
20 ANP 0.802632 0.972222
21 SAP 0.8 0.945946
22 AGS 0.8 0.945946
23 AD9 0.8 0.972222
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 ABM 0.763889 0.917808
30 APC 0.763158 0.958904
31 PRX 0.763158 0.893333
32 ATF 0.759494 0.958904
33 A22 0.753086 0.985915
34 AP2 0.743243 0.958904
35 A12 0.743243 0.958904
36 SRA 0.736111 0.918919
37 ADQ 0.73494 0.945205
38 25L 0.732558 0.985915
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 A3R 0.714286 0.907895
44 ATR 0.708861 0.971429
45 ADP PO3 0.708861 0.943662
46 PAP 0.708861 0.985714
47 SRP 0.707317 0.906667
48 7D3 0.706667 0.905405
49 25A 0.702381 0.971831
50 9X8 0.697674 0.92
51 OAD 0.697674 0.945205
52 RBY 0.6875 0.932432
53 ADV 0.6875 0.932432
54 00A 0.686047 0.883117
55 OOB 0.682353 0.931507
56 5SV 0.682353 0.848101
57 8QN 0.682353 0.931507
58 3OD 0.681818 0.945205
59 BIS 0.681818 0.933333
60 ALF ADP 0.674699 0.87013
61 ADP ALF 0.674699 0.87013
62 AMO 0.674419 0.932432
63 4AD 0.674419 0.92
64 PAJ 0.674419 0.884615
65 GAP 0.670732 0.893333
66 MAP 0.670588 0.945946
67 AHX 0.666667 0.896104
68 VO4 ADP 0.666667 0.931507
69 DLL 0.666667 0.931507
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 LMS 0.653333 0.82716
75 LAD 0.651685 0.860759
76 WAQ 0.651685 0.883117
77 B5V 0.651685 0.906667
78 PR8 0.651685 0.85
79 ITT 0.65 0.943662
80 7D4 0.65 0.905405
81 G5P 0.648936 0.921053
82 XYA 0.647059 0.84507
83 ADN 0.647059 0.84507
84 RAB 0.647059 0.84507
85 1ZZ 0.644444 0.839506
86 ME8 0.644444 0.839506
87 FYA 0.644444 0.905405
88 NB8 0.644444 0.896104
89 TXA 0.644444 0.932432
90 6AD 0.642857 0.909091
91 ADP BMA 0.640449 0.918919
92 G3A 0.638298 0.921053
93 DAL AMP 0.632184 0.905405
94 AFH 0.631579 0.884615
95 9SN 0.630435 0.871795
96 9ZA 0.625 0.907895
97 DQV 0.625 0.958333
98 9ZD 0.625 0.907895
99 GTA 0.625 0.886076
100 YAP 0.623656 0.894737
101 B5M 0.623656 0.894737
102 FA5 0.623656 0.906667
103 B5Y 0.623656 0.894737
104 UP5 0.622449 0.92
105 HFD 0.619048 0.945946
106 XAH 0.617021 0.839506
107 AV2 0.616279 0.917808
108 AOC 0.615385 0.821918
109 48N 0.612245 0.896104
110 4UV 0.610526 0.894737
111 6V0 0.606061 0.896104
112 NAI 0.606061 0.907895
113 DND 0.606061 0.932432
114 NAX 0.606061 0.873418
115 NXX 0.606061 0.932432
116 TXD 0.606061 0.907895
117 5N5 0.605634 0.819444
118 5AS 0.604938 0.77907
119 A4P 0.60396 0.843373
120 DAT 0.60241 0.905405
121 A2R 0.602273 0.985915
122 TXE 0.6 0.907895
123 OMR 0.6 0.851852
124 4UU 0.597938 0.894737
125 GA7 0.597938 0.906667
126 A A 0.597826 0.944444
127 A4D 0.597222 0.819444
128 5CD 0.597222 0.805556
129 AP0 0.594059 0.896104
130 4TC 0.594059 0.896104
131 A3P 0.592593 0.971429
132 T5A 0.592233 0.841463
133 139 0.592233 0.873418
134 7D5 0.592105 0.878378
135 ATP A A A 0.589474 0.930556
136 LAQ 0.585859 0.839506
137 MYR AMP 0.585106 0.817073
138 F2R 0.580952 0.864198
139 YLP 0.58 0.819277
140 UPA 0.578431 0.907895
141 7DD 0.578313 0.985714
142 3AM 0.576923 0.929577
143 ADJ 0.576923 0.851852
144 COD 0.575472 0.811765
145 NAD 0.575472 0.931507
146 3AT 0.574713 0.971831
147 JB6 0.574468 0.883117
148 4UW 0.574257 0.860759
149 EP4 0.573333 0.753247
150 A2P 0.573171 0.957143
151 CNA 0.571429 0.932432
152 TYM 0.568627 0.906667
153 PPS 0.568182 0.873418
154 DTA 0.565789 0.786667
155 M2T 0.565789 0.734177
156 AR6 AR6 0.565657 0.917808
157 A3D 0.564815 0.918919
158 80F 0.564815 0.841463
159 3DH 0.564103 0.773333
160 G5A 0.563218 0.77907
161 YLB 0.563107 0.819277
162 YLC 0.563107 0.839506
163 AMP DBH 0.561224 0.893333
164 TYR AMP 0.561224 0.87013
165 MTA 0.558442 0.773333
166 DTP 0.556818 0.905405
167 AHZ 0.554455 0.817073
168 NA7 0.553191 0.958904
169 IOT 0.552381 0.831325
170 ZAS 0.55 0.766234
171 7MD 0.55 0.8625
172 ARG AMP 0.55 0.829268
173 IMO 0.548781 0.929577
174 YLA 0.54717 0.819277
175 NAE 0.544643 0.894737
176 TAD 0.544554 0.884615
177 A5A 0.544444 0.807229
178 2AM 0.544304 0.943662
179 TSB 0.543478 0.819277
180 6RE 0.54321 0.759494
181 AYB 0.542056 0.809524
182 NAQ 0.539823 0.871795
183 V3L 0.539326 0.971831
184 SSA 0.538462 0.8
185 AF3 ADP 3PG 0.538462 0.8375
186 ZID 0.535088 0.918919
187 LPA AMP 0.533981 0.817073
188 52H 0.532609 0.77907
189 VMS 0.532609 0.788235
190 54H 0.532609 0.788235
191 BTX 0.53211 0.841463
192 A3N 0.53012 0.786667
193 J7C 0.53012 0.769231
194 5X8 0.528736 0.763158
195 BT5 0.527273 0.831325
196 8X1 0.526882 0.752809
197 5CA 0.526882 0.8
198 53H 0.526882 0.77907
199 ARU 0.526316 0.860759
200 EAD 0.525862 0.873418
201 RGT 0.525253 0.958904
202 OVE 0.52439 0.905405
203 S4M 0.52381 0.666667
204 7DT 0.522727 0.985714
205 GDP 0.522222 0.92
206 DDS 0.522222 0.878378
207 AVV 0.521277 0.896104
208 NDE 0.521008 0.932432
209 7MC 0.518868 0.841463
210 DSH 0.518072 0.725
211 MAO 0.517647 0.759036
212 NSS 0.515789 0.8
213 DSZ 0.515789 0.8
214 LSS 0.515789 0.761364
215 P5A 0.515464 0.744444
216 DZD 0.513514 0.884615
217 NVA LMS 0.510417 0.752809
218 9K8 0.510204 0.714286
219 12D 0.509615 0.785714
220 M24 0.508772 0.85
221 YLY 0.508772 0.809524
222 P1H 0.508333 0.851852
223 5AD 0.506849 0.746479
224 GJV 0.505882 0.75
225 LEU LMS 0.505155 0.752809
226 AMP NAD 0.504505 0.905405
227 4TA 0.504505 0.807229
228 G A A A 0.504505 0.871795
229 NAJ PZO 0.504425 0.848101
230 GSU 0.5 0.77907
231 128 0.5 0.776471
232 KAA 0.5 0.752809
233 71V 0.5 0.907895
234 A3G 0.5 0.8
235 NDC 0.5 0.871795
236 7D7 0.5 0.743243
237 N0B 0.495726 0.819277
238 NJP 0.495495 0.945946
239 ODP 0.495495 0.909091
240 2SA 0.494624 0.932432
241 6C6 0.494505 0.881579
242 SFG 0.494382 0.75
243 0WD 0.491071 0.921053
244 YSA 0.490196 0.77907
245 PO4 PO4 A A A A PO4 0.489796 0.902778
246 SAM 0.48913 0.690476
247 6IA 0.48913 0.8375
248 A7D 0.488636 0.776316
249 6FA 0.488 0.841463
250 FB0 0.487805 0.804598
251 NAJ PYZ 0.487179 0.807229
252 A5D 0.483516 0.786667
253 IDP 0.483516 0.918919
254 SA8 0.483516 0.707317
255 PGS 0.483146 0.883117
256 MHZ 0.483146 0.697674
257 DA 0.482353 0.878378
258 D5M 0.482353 0.878378
259 NEC 0.482353 0.746667
260 NIA 0.481928 0.822785
261 Y3J 0.480519 0.726027
262 8PZ 0.480392 0.8
263 FAD 0.480315 0.851852
264 FAS 0.480315 0.851852
265 FDA 0.48 0.833333
266 N6P 0.479592 0.915493
267 GGZ 0.479167 0.825
268 U A 0.478261 0.907895
269 SAH 0.478261 0.74359
270 SAI 0.478261 0.734177
271 A G 0.477876 0.883117
272 NPW 0.477477 0.886076
273 NDP 0.477477 0.921053
274 AAM 0.476744 0.971429
275 C2R 0.47561 0.90411
276 AMZ 0.47561 0.916667
277 A A A 0.474747 0.905405
278 GTP 0.473684 0.92
279 U A G G 0.473684 0.883117
280 SMM 0.473684 0.686047
281 NZQ 0.473214 0.909091
282 TXP 0.473214 0.921053
283 A3S 0.47191 0.810811
284 SFD 0.46875 0.734043
285 AIR 0.468354 0.901408
286 AAT 0.468085 0.707317
287 EEM 0.468085 0.690476
288 J7V 0.466667 0.833333
289 Z5A 0.466667 0.77907
290 7C5 0.466667 0.818182
291 62F 0.465649 0.8625
292 HDV 0.463158 0.893333
293 FAY 0.462121 0.8625
294 A3T 0.461538 0.821918
295 ETB 0.461538 0.833333
296 DCA 0.461538 0.823529
297 A6D 0.46 0.722892
298 A U 0.459459 0.87013
299 GEK 0.459184 0.7375
300 6K6 0.459184 0.930556
301 RFL 0.458647 0.821429
302 NAP 0.458333 0.945205
303 S7M 0.458333 0.690476
304 4YB 0.457944 0.761364
305 WSA 0.454545 0.788235
306 TAP 0.454545 0.907895
307 FNK 0.454545 0.804598
308 COA 0.453782 0.823529
309 0T1 0.453782 0.823529
310 101 0.453488 0.878378
311 XNP 0.452174 0.873418
312 NA0 0.45082 0.932432
313 7RP 0.448276 0.928571
314 GP3 0.446809 0.921053
315 TM1 0.446602 0.77381
316 APU 0.446429 0.894737
317 PUA 0.445378 0.884615
318 V1N 0.443396 0.917808
319 7RA 0.443182 0.957747
320 COS 0.442623 0.804598
321 AMX 0.442623 0.833333
322 30N 0.442623 0.752688
323 CAO 0.442623 0.795455
324 QQY 0.44186 0.815789
325 ACK 0.44186 0.861111
326 649 0.441441 0.744444
327 0UM 0.44 0.698795
328 NHD 0.439655 0.905405
329 CMX 0.439024 0.823529
330 SCO 0.439024 0.823529
331 GCP 0.438776 0.896104
332 8BR 0.438202 0.906667
333 GNH 0.4375 0.907895
334 8Q2 0.4375 0.772727
335 3AD 0.4375 0.805556
336 NVA 2AD 0.43617 0.759494
337 62X 0.435644 0.666667
338 FCX 0.435484 0.795455
339 ACO 0.435484 0.795455
340 FAM 0.435484 0.804598
341 9JJ 0.434783 0.8625
342 GNP 0.434343 0.896104
343 9GM 0.434343 0.896104
344 NMX 0.433071 0.76087
345 MGP 0.43299 0.884615
346 26A 0.432099 0.763158
347 HAX 0.432 0.804598
348 K15 0.431373 0.682353
349 DG1 0.430894 0.921053
350 1DG 0.430894 0.921053
351 QQX 0.430233 0.805195
352 2VA 0.430108 0.8
353 S8M 0.43 0.759494
354 2MC 0.429688 0.769231
355 6G0 0.428571 0.884615
356 P5F 0.428571 0.823529
357 FYN 0.428571 0.823529
358 3KK 0.428571 0.804598
359 A C A C 0.428571 0.848101
360 7L1 0.427419 0.795455
361 FAI 0.426966 0.916667
362 RMB 0.426966 0.873239
363 AS 0.426966 0.833333
364 1RB 0.425287 0.885714
365 CA6 0.425197 0.729167
366 SOP 0.425197 0.804598
367 OXK 0.425197 0.804598
368 MCD 0.425197 0.804598
369 COK 0.425197 0.804598
370 G1R 0.424242 0.907895
371 SXZ 0.423077 0.710843
372 CC5 0.423077 0.816901
373 F2N 0.422535 0.813953
374 EO7 0.422222 0.788235
375 ANZ 0.422018 0.8
376 1VU 0.421875 0.795455
377 CMC 0.421875 0.804598
378 CO6 0.421875 0.804598
379 ZDA 0.421053 0.864865
380 GKE 0.420561 0.884615
381 GDC 0.420561 0.884615
382 GDD 0.420561 0.884615
383 NFD 0.420168 0.883117
384 GSP 0.42 0.873418
385 D3Y 0.42 0.789474
386 MC4 0.419847 0.76087
387 3D1 0.419753 0.773333
388 3L1 0.419753 0.773333
389 FA9 0.41958 0.864198
390 5GP 0.419355 0.906667
391 G 0.419355 0.906667
392 KB1 0.419048 0.698795
393 CAJ 0.418605 0.804598
394 SCD 0.418605 0.823529
395 CMP 0.417582 0.901408
396 2BA 0.417582 0.915493
397 SO8 0.416667 0.789474
398 VRT 0.416667 0.769231
399 N01 0.416667 0.905405
400 IVC 0.415385 0.813953
401 1HE 0.415385 0.786517
402 A1S 0.415385 0.804598
403 BCO 0.415385 0.804598
404 3HC 0.415385 0.813953
405 MLC 0.415385 0.804598
406 NMN AMP PO4 0.415254 0.87013
407 2FA 0.414634 0.813333
408 MGO 0.414141 0.860759
409 3NZ 0.413462 0.782051
410 COO 0.412214 0.804598
411 MCA 0.412214 0.795455
412 YE1 0.412214 0.813953
413 CAA 0.412214 0.813953
414 GAV 0.411765 0.884615
415 PRT 0.411215 0.931507
416 JLN 0.411111 0.890411
417 P2P 0.411111 0.902778
418 ZZB 0.410256 0.77381
419 SP1 0.409091 0.842105
420 RP1 0.409091 0.842105
421 2CP 0.409091 0.795455
422 SCA 0.409091 0.804598
423 103 0.409091 0.837838
424 PAX 0.408 0.829268
425 FAD NBT 0.407143 0.75
426 COW 0.406015 0.795455
427 3CP 0.406015 0.804598
428 IRC 0.406015 0.813953
429 BYC 0.406015 0.804598
430 CA8 0.406015 0.729167
431 1GZ 0.406015 0.795455
432 COF 0.406015 0.786517
433 HGG 0.406015 0.804598
434 2KQ 0.406015 0.786517
435 G2P 0.405941 0.884615
436 SLU 0.404959 0.770115
437 U A C C 0.404959 0.858974
438 RBZ 0.404494 0.849315
439 1CZ 0.404412 0.795455
440 FAQ 0.402985 0.804598
441 BCA 0.402985 0.795455
442 4CA 0.402985 0.795455
443 MTP 0.402439 0.730769
444 8OD 0.402062 0.945205
445 CO7 0.401515 0.804598
446 GRA 0.4 0.804598
447 G2R 0.4 0.884615
448 ENQ 0.4 0.916667
449 CNV FAD 0.4 0.8
450 GMV 0.4 0.896104
451 HXC 0.4 0.786517
452 HF7 0.4 0.893333
Ligand no: 2; Ligand: AF3; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 AF3 1 1
Ligand no: 3; Ligand: TMP; Similar ligands found: 90
No: Ligand ECFP6 Tc MDL keys Tc
1 TMP 1 1
2 TYD 0.80597 0.985714
3 TTP 0.760563 0.985714
4 UFP 0.716418 0.917808
5 TBD 0.708333 0.945205
6 BRU 0.705882 0.917808
7 5HU 0.705882 0.957747
8 5IU 0.695652 0.917808
9 THM 0.693548 0.859155
10 LLT 0.693548 0.859155
11 FDM 0.671429 0.931507
12 NYM 0.671429 0.971831
13 THP 0.661972 0.985507
14 TLO 0.654321 0.931507
15 0DN 0.646154 0.84507
16 ATM 0.64 0.906667
17 BVP 0.64 0.957747
18 DAU 0.635294 0.918919
19 DT DT DT 0.634146 0.930556
20 18T 0.623529 0.918919
21 TDX 0.623529 0.931507
22 TRH 0.623529 0.918919
23 3R2 0.623529 0.906667
24 1JB 0.623529 0.918919
25 3YN 0.609195 0.918919
26 T3F 0.609195 0.894737
27 T3Q 0.609195 0.894737
28 DWN 0.609195 0.894737
29 0N2 0.602273 0.883117
30 T46 0.602273 0.918919
31 T3P 0.6 0.957143
32 DT DT DT DT DT 0.597701 0.958333
33 MMF 0.595506 0.894737
34 0FX 0.595506 0.894737
35 AKM 0.593407 0.873418
36 DT DT PST 0.58427 0.881579
37 DU 0.583333 0.956522
38 UMP 0.583333 0.956522
39 QDM 0.582418 0.883117
40 1YF 0.576087 0.906667
41 JHZ 0.576087 0.871795
42 FNF 0.576087 0.906667
43 TXS 0.575342 0.8
44 4TG 0.569892 0.906667
45 T3S 0.56 0.8
46 2DT 0.555556 0.971429
47 ATY 0.548781 0.931507
48 DDN 0.547945 0.956522
49 AZD 0.535714 0.894737
50 FUH 0.53 0.894737
51 QUH 0.53 0.894737
52 T5A 0.524272 0.829268
53 DT ME6 DT 0.509804 0.881579
54 DC 0.506494 0.890411
55 DCM 0.506494 0.890411
56 AZZ 0.5 0.789474
57 4TA 0.495327 0.817073
58 ABT 0.483516 0.871795
59 QBT 0.480519 0.915493
60 WMJ 0.477778 0.75
61 ADS THS THS THS 0.477477 0.767442
62 7SG 0.474138 0.851852
63 TQP 0.474138 0.851852
64 T4K 0.470085 0.841463
65 T5K 0.470085 0.841463
66 DUD 0.469136 0.942857
67 UMC 0.467532 0.901408
68 D3T 0.464286 0.957747
69 TPE 0.463158 0.881579
70 D4M 0.461538 0.927536
71 ID2 0.452055 0.786667
72 UC5 0.451219 0.929577
73 DUT 0.447059 0.942857
74 DUP 0.44186 0.916667
75 DUN 0.440476 0.916667
76 DT MA7 DT 0.42623 0.807229
77 8OG 0.425287 0.82716
78 BVD 0.423077 0.821918
79 74W 0.42 0.72093
80 74X 0.42 0.72093
81 5FU 0.4125 0.84
82 D4D 0.411765 0.914286
83 PAX 0.408333 0.839506
84 YYY 0.406977 0.878378
85 DA DT DA DA 0.404959 0.82716
86 BTD 0.404762 0.759494
87 DPB 0.404494 0.890411
88 5BU 0.402439 0.84
89 DUS 0.4 0.820513
90 3DT 0.4 0.821918
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1NN5; Ligand: ANP; Similar sites found with APoc: 612
This union binding pocket(no: 1) in the query (biounit: 1nn5.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 3Q72 GNP None
2 5KSP GDP None
3 1S8F GDP None
4 1A4R GNH None
5 1KO8 6PG None
6 1A4R GDP None
7 1ZUI SKM None
8 2B8T THM None
9 3IIJ ADP None
10 3MJH GTP None
11 1YRB GDP 0.930233
12 1F9V ADP 0.930233
13 1YVD GNP 1.18343
14 1G6H ADP 1.39535
15 4KVA GTP 1.39535
16 2PL3 ADP 1.39535
17 1FP6 ADP 1.39535
18 1LVW TYD 1.39535
19 5H4S RAM 1.39535
20 2JAQ DCP 1.46341
21 2OBM ADP 1.86047
22 2OM2 GDP 1.86047
23 1Y3A GDP 1.86047
24 2OEM 1AE 1.86047
25 1SVK ALF GDP 1.86047
26 1BH2 GSP 1.86047
27 4R2I ANP 1.90476
28 4DID GDP 1.97368
29 2F9L GDP 2.01005
30 1OIV GDP 2.09424
31 2BME GNP 2.15054
32 1GXU 2HP 2.1978
33 4WOP CTP 2.22222
34 4C4P GNP 2.31214
35 3LRE ADP 2.32558
36 5TSH ANP 2.32558
37 5TSH ADP 2.32558
38 1XP8 AGS 2.32558
39 1XMV ADP 2.32558
40 5JCP GDP ALF 2.32558
41 1NY5 ADP 2.32558
42 1L2T ATP 2.32558
43 6DEF GCP 2.32558
44 2O0J ADP 2.32558
45 5G1N PAL 2.32558
46 1WF3 GNP 2.32558
47 6AU6 GDP 2.32558
48 1P3D ANP 2.32558
49 1EK0 GNP 2.35294
50 1R2Q GNP 2.35294
51 1JJV ATP 2.42718
52 3W5J GDP 2.45098
53 3UIE ANP 2.5
54 5N69 ADP 2.51256
55 1KMQ GNP 2.71739
56 1CXZ GSP 2.74725
57 4FRZ ADP 2.7907
58 2WHX ADP 2.7907
59 5CK5 GDP 2.7907
60 5ZXD ATP 2.7907
61 1V8K ANP 2.7907
62 2QEN ADP 2.7907
63 4P4T GDP 2.7907
64 2QZ4 ADP 2.7907
65 2JLR ANP 2.7907
66 4XGU ADP 2.7907
67 4FCW ADP 2.7907
68 4KBF AMP 2.7907
69 2J5V PCA 2.7907
70 3FVQ ATP 2.7907
71 4RZ3 ADP 2.7907
72 5K5Z ANP 2.7907
73 1OYY AGS 2.7907
74 1NST A3P 2.7907
75 1YVZ JPC 2.7907
76 3HQ9 OXL 2.7907
77 4XYM A12 2.7907
78 1T8U A3P 2.7907
79 6FOG OXL 2.7907
80 1BO4 COA 2.97619
81 3BC1 GNP 3.07692
82 2ZX2 RAM 3.07692
83 3BD9 A3P 3.21429
84 2AWN ADP 3.25581
85 1T5C ADP 3.25581
86 5M04 GDP 3.25581
87 1B0U ATP 3.25581
88 1DAR GDP 3.25581
89 3BOS CDP 3.25581
90 4LYA ATP 3.25581
91 1R6B ADP 3.25581
92 4PX9 ADP 3.25581
93 5XDR ADP 3.25581
94 1WDT GTP 3.25581
95 2XZ9 PYR 3.25581
96 3B7G ANP 3.25581
97 2VB6 ADP BEF 3.25581
98 4XSH GSP 3.25581
99 5JCZ GDP 3.25581
100 3RC3 ANP 3.25581
101 5X40 ACP 3.25581
102 2IXE ATP 3.25581
103 1IN4 ADP 3.25581
104 4LJ9 ACP 3.25581
105 4ITR GDP 3.25581
106 1CR1 TTP 3.25581
107 4PFO ADP 3.25581
108 2CHG ANP 3.25581
109 1F5N GNP 3.25581
110 3IUY AMP 3.25581
111 4LHD GLY 3.25581
112 2FH5 GTP 3.27103
113 4XOI GTP 3.33333
114 1RYH GNP 3.44828
115 3P4X ADP 3.63196
116 3LXR GDP 3.64583
117 1E96 GTP 3.64583
118 1OIX GDP 3.66492
119 3H4S ADP 3.7037
120 3COB ADP 3.72093
121 1KK1 GNP 3.72093
122 5GOE GDP 3.72093
123 4IEE AGS 3.72093
124 1G3Q ADP 3.72093
125 3EZ2 ADP 3.72093
126 5H7K GDP 3.72093
127 5H7J GCP 3.72093
128 3FWY ADP 3.72093
129 2D7D ADP 3.72093
130 1H65 GDP 3.72093
131 4NON GDP 3.72093
132 1CS4 GSP 3.72093
133 2GMV PEP 3.72093
134 1MH1 GNP 3.76344
135 2W2X GSP 3.78378
136 5J1J ANP 3.85965
137 2EFE GNH 3.8674
138 1GWN GTP 3.90244
139 5XC5 GTP 3.97727
140 2HV8 GTP 4.06977
141 5YV5 ADP 4.18605
142 1YQT ADP 4.18605
143 4D0N GDP 4.18605
144 4IHQ ADP 4.18605
145 5W75 GDP 4.18605
146 6G14 G4P 4.18605
147 4HSE ADP 4.18605
148 5FTB ANP 4.18605
149 2DPY ADP 4.18605
150 2CE7 ADP 4.18605
151 4R43 GDP 4.18605
152 3TBK ANP 4.18605
153 2ZTS ADP 4.18605
154 1E2K TMC 4.18605
155 5FHD ADP ALF 4.18605
156 5MZN ADP 4.18605
157 4TTQ ATP 4.18605
158 1K6M AGS 4.18605
159 1ION ADP 4.18605
160 6B4K ANP 4.18605
161 1NJF ADP 4.18605
162 5M7P ADP 4.18605
163 4ZDJ UTP 4.18605
164 5IRR GSP 4.18605
165 1FNN ADP 4.18605
166 4YC7 GNP 4.18605
167 4NCN GTP 4.18605
168 4TMZ GSP 4.18605
169 1NJF AGS 4.18605
170 2GN2 C5P 4.18605
171 4ZKD GDP 4.18605
172 5I34 GDP 4.18605
173 4G86 BNT 4.18605
174 2ZE7 DST 4.18605
175 4KVG GTP 4.18605
176 5J1S ATP 4.18605
177 2D7C GTP 4.19162
178 5UQW GDP 4.2328
179 3SBD GNP 4.27807
180 1M7B GTP 4.34783
181 5LB3 ADP 4.65116
182 5Y6N ADP 4.65116
183 5IFS ADP 4.65116
184 1OE0 TTP 4.65116
185 4JLV ADP 4.65116
186 5HPY GDP 4.65116
187 2FSH ANP 4.65116
188 1TQ4 GDP 4.65116
189 1OS1 PYR 4.65116
190 1OS1 ATP 4.65116
191 3KJI ADP 4.65116
192 4D81 ADP 4.65116
193 3HU3 AGS 4.65116
194 3KC1 2T6 4.65116
195 4WZA ACP 4.65116
196 4NE2 ADP 4.65116
197 4NE2 SH2 4.65116
198 4WZA ADP 4.65116
199 1J3I UMP 4.65116
200 3QKT ANP 4.65116
201 1NF3 GNP 4.6875
202 4KFU ACP 4.71698
203 1Z2A GDP 4.7619
204 2ZEJ GDP 4.8913
205 1GRN GDP 4.92611
206 5E5U MLI 5.02513
207 1TX4 ALF GDP 5.05051
208 1Z0J GTP 5.08475
209 2PZE ATP 5.11628
210 2VVG ADP 5.11628
211 4WZ6 ATP 5.11628
212 3EWA ANP 5.11628
213 4R98 GNH 5.11628
214 5KSZ GCP 5.11628
215 4M9Q GNP 5.11628
216 3FKQ ATP 5.11628
217 1OW3 GDP 5.11628
218 5VHC BEF ADP 5.11628
219 3DZD ADP 5.11628
220 2XTZ GSP 5.11628
221 3BFX A3P 5.11628
222 2J0V GDP 5.18868
223 3H86 AP5 5.20833
224 2A5J GDP 5.2356
225 4JLS 3ZE 5.26316
226 5E95 GDP 5.35714
227 1KAO GDP 5.38922
228 1CLU DBG 5.42169
229 2QG6 NMN 5.52764
230 3CNL GNP 5.5814
231 4DCT GDP 5.5814
232 3E70 GDP 5.5814
233 5LTJ ADP 5.5814
234 5LTJ BEF 5.5814
235 4GOX A3P 5.5814
236 1GQY ACP 5.5814
237 1WQ1 GDP 5.5814
238 2GWH A3P 5.5814
239 3REF GDP 5.6701
240 3DEF GDP 5.72519
241 1ZJ6 G3D 5.88235
242 5O2T GSP 5.88235
243 1M6P M6P 5.92105
244 1HE1 GDP 5.92593
245 1JJ7 ADP 6.04651
246 2KIN ADP 6.04651
247 2XT3 ADP 6.04651
248 5FG3 GDP 6.04651
249 1MKY GDP 6.04651
250 5YT0 GDP 6.04651
251 4LPS GDP 6.04651
252 3GJ4 GDP 6.04651
253 1VKJ A3P 6.04651
254 2GDJ ANP 6.04651
255 3GJ8 GDP 6.04651
256 3GJ5 GDP 6.04651
257 5BN3 ADP 6.04651
258 5Z69 AGS 6.04651
259 2OZE AGS 6.04651
260 3CPJ GDP 6.04651
261 2XAU ADP 6.04651
262 4RD0 GDP 6.04651
263 2BCG GDP 6.04651
264 5I0H ADP BEF 6.04651
265 5E9G GLV 6.04651
266 2C9O ADP 6.04651
267 3FYH ADP 6.04651
268 6D3U 83Y BDP 83Y GCD 6.04651
269 6CS8 F9Y 6.04651
270 1D2N ANP 6.04651
271 3ZQ6 ADP ALF 6.04651
272 2Q8M AMP 6.04651
273 2BEK ATP 6.04651
274 5O74 GDP 6.09137
275 1YZG GDP 6.14525
276 1QF9 C5P 6.18557
277 1QF9 ADP 6.18557
278 1QF9 ALF 6.18557
279 1XX6 ADP 6.28272
280 1XPJ TLA 6.34921
281 3DWQ NGC GAL NGA POL AZI 6.34921
282 1G16 GDP 6.47059
283 3RAB GNP 6.50888
284 1GOJ ADP 6.51163
285 4YMU ATP 6.51163
286 1AKY AP5 6.51163
287 1D2E GDP 6.51163
288 5W7Q GDP 6.51163
289 2RCN GDP 6.51163
290 1G7S GDP 6.51163
291 5HCN GCP 6.51163
292 4MKF AP5 6.51163
293 5HR5 ADP 6.51163
294 2G77 GDP 6.51163
295 2C77 GNP 6.51163
296 4ZG4 VO4 ADP 6.51163
297 2C78 GNP 6.51163
298 1G4U GDP 6.51163
299 2G77 AF3 6.51163
300 2HF9 GSP 6.51163
301 4PJ3 ANP 6.51163
302 1IHU AF3 6.51163
303 3VMF GTP 6.51163
304 3WXM GTP 6.51163
305 1IHU ADP 6.51163
306 3VX3 ADP 6.51163
307 2GKS ADP 6.51163
308 1UJ2 ADP 6.51163
309 1UJ2 C5P 6.51163
310 5OEC GDP 6.55738
311 5TB5 GDP 6.66667
312 5TAR GDP 6.75676
313 5KDO GDP 6.75676
314 1M2O GNP 6.84211
315 5OCG GNP 6.87831
316 1UKZ ADP 6.89655
317 2WJG GDP 6.91489
318 1RRC ADP 6.97674
319 3A4M ADP 6.97674
320 4U00 ADP 6.97674
321 5G41 AP5 6.97674
322 3FB4 AP5 6.97674
323 1ZIN AP5 6.97674
324 4MKG AP5 6.97674
325 6A20 ADP 6.97674
326 3B5J 12D 6.97674
327 4Q1A 2XZ 6.97674
328 4Q1A UDP 6.97674
329 1U0J ADP 6.97674
330 5IRN ADP 6.97674
331 5ZBR ANP 6.97674
332 6B8B ADP 6.97674
333 2B8W ALF 5GP 6.97674
334 2WHP HI6 6.97674
335 5DHF GNP 6.97674
336 5DIF GNP 6.97674
337 5UWT GNP 6.97674
338 5UWU GNP 6.97674
339 5UWQ GNP 6.97674
340 5UWH GNP 6.97674
341 5UWO GNP 6.97674
342 5UWJ GNP 6.97674
343 6CIT GNP 6.97674
344 5UWI GNP 6.97674
345 5UWR GNP 6.97674
346 1KSH GDP 6.98925
347 4UXH T5A 7.06522
348 1F6B GDP 7.07071
349 3T1O GDP 7.07071
350 4QRH 0O2 7.14286
351 2WJH GDP 7.22892
352 2WJH FLC 7.22892
353 4D0G GTP 7.24638
354 6BC0 GSP 7.33333
355 5BQ5 ADP BEF 7.40741
356 4GOJ GNP 7.40741
357 1OXV ANP 7.44186
358 5W76 GDP 7.44186
359 3BFV ADP 7.44186
360 2NGR GDP 7.44186
361 3DKP ADP 7.44186
362 4HI0 GDP 7.44186
363 1X6V ADP 7.44186
364 4H1V GNP 7.44186
365 6H5E ANP 7.44186
366 5HV7 RBL 7.44186
367 1DAK ADP 7.44186
368 1DAK DPU 7.44186
369 2GCO GNP 7.46269
370 2GCN GDP 7.46269
371 1I4D GDP 7.58929
372 1Z83 AP5 7.65306
373 1KY3 GDP 7.69231
374 1B7T ADP 7.69231
375 2OFW ADX 7.69231
376 1FZQ GDP 7.73481
377 5L3W GDP 7.90698
378 4YJ1 ADP 7.90698
379 5VGR GDP 7.90698
380 3AB3 GDP 7.90698
381 1ZCB GDP 7.90698
382 3Q9L ATP 7.90698
383 3CX8 GSP 7.90698
384 1YTM ATP 7.90698
385 4HE2 AMP 7.90698
386 3T12 GDP ALF 8.08823
387 3GJ7 GDP 8.16327
388 4QM7 GTP 8.18713
389 1SVI GDP 8.20513
390 3KTA AP5 8.24176
391 2VOH CIT 8.28025
392 1SQ5 ADP 8.37209
393 3GJ3 GDP 8.37209
394 3GJ0 GDP 8.37209
395 5BXQ GDP 8.37209
396 3CH5 GDP 8.37209
397 1IBR GNP 8.37209
398 1Z06 GNP 8.46561
399 1R4A GNP 8.48485
400 2ODE ALF GDP 8.51064
401 4BQS K2Q 8.52273
402 4BQS ADP 8.52273
403 1M7G AV2 8.53081
404 1M7G ADP 8.53081
405 1M7G ADX 8.53081
406 2HT6 GDP 8.62069
407 3RWO GDP 8.64865
408 3TKL GTP 8.67347
409 2CBZ ATP 8.83721
410 4AG5 ADP 8.83721
411 2WIC GNP 8.83721
412 4ZNL BEF ADP 8.83721
413 2WMO GTP 8.83721
414 1NRJ GTP 8.83721
415 1GOT GDP 8.83721
416 2FAH GDP 8.83721
417 5EXT ADP 8.83721
418 4K81 GTP 8.83721
419 4YS0 ADP 8.83721
420 1Q19 SSC 8.83721
421 1DS6 GDP 8.88889
422 1Z0F GDP 8.93855
423 2CDN ADP 8.95522
424 5IRC GDP 8.95522
425 1VHT BA3 9.17431
426 2OG2 MLI 9.30233
427 3NHB ADP 9.30233
428 3B9Q MLI 9.30233
429 2IYL GDP 9.30233
430 3EC1 GDP 9.30233
431 1Z6T ADP 9.30233
432 5LLB 6YZ 9.30233
433 2GK6 ADP 9.30233
434 2BIF SIN 9.30233
435 1RJ9 GCP 9.30233
436 2BIF ANP 9.30233
437 1QHG ATP 9.30233
438 3SFV GDP 9.39227
439 6BYF CIT 9.41177
440 4U5X GNP 9.55056
441 3M1I GTP 9.58904
442 1VG0 GDP 9.66184
443 1VG8 GNP 9.66184
444 3NKV GNP 9.71429
445 4LC1 GDP 9.76744
446 4QOS ADP 9.76744
447 2FNA ADP 9.76744
448 2ORV 4TA 9.76744
449 3KUD GDP 9.87654
450 6BCA GSP 9.93377
451 2EW1 GNP 9.95025
452 2PEZ GGZ 10.0559
453 2PEZ DAT 10.0559
454 1ZD9 GDP 10.1064
455 5U32 GDP 10.2326
456 2QN6 GDP 10.2326
457 4YDS ATP 10.2326
458 2IS6 ADP 10.2326
459 1PUJ GNP 10.2326
460 5GVR LMR 10.2326
461 1P72 ADP 10.2326
462 4A4Z ANP 10.2326
463 5L3R GCP 10.2326
464 6FAA ADP 10.2326
465 1LVK MNT BEF 10.2326
466 2QQ0 THM 10.3261
467 2QQ0 ADP 10.3261
468 2QQ0 TMP 10.3261
469 2QQ0 ANP 10.3261
470 5UPK GNP 10.4167
471 5MVR ADP 10.4938
472 3T5G GDP 10.4972
473 6BSX GDP 10.6742
474 6BSX E7S 10.6742
475 2D2F ADP 10.6977
476 1G6O ADP 10.6977
477 3ZFD ANP 10.6977
478 3IO3 ADP 10.6977
479 2FJU GSP 10.6977
480 4XTR ADP 10.6977
481 1W5T ANP 10.6977
482 4XTR ATP 10.6977
483 4XVU ATP 10.6977
484 1W5T ADP 10.6977
485 1HTW ADP 10.7595
486 1W4R TTP 10.7692
487 1VG1 GDP 10.8108
488 1VG9 GDP 10.8108
489 2A5F GTP 10.8571
490 1Z0A GDP 10.9195
491 3PCR GTP 11.1111
492 1XKV ATP 11.1628
493 1R0X ATP 11.1628
494 1GP2 GDP 11.2676
495 5Z2M GTP 11.3636
496 2W58 ADP 11.3861
497 1TU3 GNP 11.3924
498 2W83 GTP 11.5152
499 2NCD ADP 11.6279
500 2Y65 ADP 11.6279
501 3MD0 GDP 11.6279
502 4BFW ZVW 11.6279
503 1SVM ATP 11.6279
504 5KUT GDP 11.6402
505 6BCB GSP 11.6438
506 2FFQ GSP 11.6959
507 3N5C GDP 11.7284
508 1D5C GDP 11.7284
509 2J59 GTP 12.0482
510 1O3Y GTP 12.0482
511 3DC4 ADP 12.093
512 2ZFI ADP 12.093
513 2XTN GTP 12.093
514 2WKQ GTP 12.093
515 1RE0 GDP 12.1951
516 1S9D GDP 12.1951
517 1KK8 BEF ADP 12.2302
518 1BG2 ADP 12.5581
519 3TK1 GDP 12.5581
520 1G41 ADP 12.5581
521 1OFH ADP 12.5581
522 5AK0 8V1 12.5581
523 3ZIA ATP 12.6984
524 3ZIA ADP 12.6984
525 3A1S GDP 12.7907
526 3PQC GDP 12.8205
527 2A9K GDP 12.8342
528 4J0Q GDP 13.0233
529 1W7J ADP BEF 13.0233
530 4V03 ADP 13.0233
531 1QHH ATP 13.0435
532 2UZI GTP 13.1579
533 3QF7 ANP 13.4884
534 1FQJ GDP 13.6054
535 1FQK GDP 13.6054
536 1FQK ALF 13.6054
537 4KAX GTP 13.6095
538 4V0K GDP 13.6095
539 4CVN ADP 13.6126
540 1UAD GNP 13.7143
541 1ZC3 GNP 13.7143
542 1MR3 G3D 13.8122
543 4YLG GDP 13.8728
544 6CRK GDP 13.9535
545 1UPT GTP 14.0351
546 4BAS GNP 14.0704
547 2X77 GDP 14.2857
548 4ZI2 GNP 14.2857
549 1U8Z GDP 14.2857
550 1G7C 5GP 14.4186
551 2RGX AP5 14.5631
552 5EE5 GTP 14.6199
553 4J6W C 14.6341
554 3AQ4 GDP 14.6739
555 3Q85 GNP 14.7929
556 4DKX GDP 14.8837
557 3WYA GDP 14.8837
558 3WY9 GDP 14.8837
559 4CQK PIO 14.8936
560 1LVG ADP 15.1515
561 4PPF FLC 15.3488
562 2ZR9 DTP 15.3488
563 1J2J GTP 15.5556
564 2CJW GDP 15.625
565 4E03 ADP 16.0194
566 4B47 GDP 16.2791
567 2V7Q ATP 16.2791
568 2CK3 ANP 16.2791
569 1W0J ADP 16.2791
570 2V7Q ADP 16.2791
571 1W0J ADP BEF 16.2791
572 2CK3 ADP 16.2791
573 5WC2 ADP 16.7442
574 5LEF GTP 16.7539
575 5G3Y ADP 17.2093
576 5WLB GNP 17.6471
577 5L3V GDP 17.6744
578 5L3S G 17.6744
579 5L3S GNP 17.6744
580 4X8O AP5 17.757
581 2Y8E GNP 17.8771
582 1SKQ GDP 18.1395
583 4NU0 AP5 18.1395
584 1S3G AP5 18.1395
585 3RLF ANP 18.1395
586 3QBT GNP 18.3908
587 4LHW GNP 18.3908
588 3U6B GDP 18.6047
589 2HCJ GDP 18.6047
590 4P3Y GDP 18.6047
591 5JBQ GDP 18.6047
592 1D8T GDP 18.6047
593 4G5G GDP 18.6047
594 3U6K GDP 18.6047
595 2BVN GNP 18.6047
596 4PC3 GDP 18.6047
597 1YZQ GNP 19.4118
598 1JI0 ATP 19.5349
599 4WEI GLC GAL 19.5349
600 6C90 ADP 20
601 1Z0K GTP 20.2899
602 2GJ8 ALF GDP 20.9302
603 4OI4 ATP 20.9302
604 1Y63 ADP 21.1957
605 2G3F IZC 21.3953
606 3T34 GDP 21.8605
607 5DI3 GNP 22.3256
608 1Z08 GNP 22.3529
609 3QXC ATP 23.2558
610 1I7A PHE 24.3243
611 2QTV GNP 36.7347
612 3DOE GTP 36.9792
Pocket No.: 2; Query (leader) PDB : 1NN5; Ligand: ANP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1nn5.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1NN5; Ligand: 2DT; Similar sites found with APoc: 612
This union binding pocket(no: 3) in the query (biounit: 1nn5.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 3Q72 GNP None
2 5KSP GDP None
3 1S8F GDP None
4 1A4R GNH None
5 1KO8 6PG None
6 1A4R GDP None
7 1ZUI SKM None
8 2B8T THM None
9 3IIJ ADP None
10 3MJH GTP None
11 1YRB GDP 0.930233
12 1F9V ADP 0.930233
13 1YVD GNP 1.18343
14 1G6H ADP 1.39535
15 4KVA GTP 1.39535
16 2PL3 ADP 1.39535
17 1FP6 ADP 1.39535
18 1LVW TYD 1.39535
19 5H4S RAM 1.39535
20 2JAQ DCP 1.46341 </