-->
Receptor
PDB id Resolution Class Description Source Keywords
2WWF 1.89 Å EC: 2.7.4.9 PLASMODIUM FALCIPARUM THYMIDYLATE KINASE IN COMPLEX WITH TMP AND ADP PLASMODIUM FALCIPARUM TRANSFERASE KINASE MALARIA
Ref.: STRUCTURAL BASIS FOR THE EFFICIENT PHOSPHORYLATION OF AZTMP AND DGMP BY PLASMODIUM FALCIPARUM TYPE I THYMIDYLATE KINASE. BIOCHEM.J. V. 428 499 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:212;
B:212;
C:212;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
GOL A:215;
A:216;
A:217;
B:215;
B:216;
B:217;
B:218;
C:215;
C:216;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NA A:213;
A:214;
A:218;
B:213;
B:214;
C:213;
C:214;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
TMP A:211;
B:211;
C:211;
Valid;
Valid;
Valid;
none;
none;
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
2YOH 1.6 Å EC: 2.7.4.9 PLASMODIUM FALCIPARUM THYMIDYLATE KINASE IN COMPLEX WITH A UREA-ALPHA-DEOXYTHYMIDINE INHIBITOR PLASMODIUM FALCIPARUM TRANSFERASE MALARIA INHIBITOR
Ref.: SYNTHESIS AND EVALUATION OF ALPHA-THYMIDINE ANALOGU NOVEL ANTIMALARIALS. J.MED.CHEM. V. 55 10948 2012
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 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(=....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 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(=....
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: 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 : 2YOH; Ligand: WMJ; Similar sites found with APoc: 530
This union binding pocket(no: 1) in the query (biounit: 2yoh.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 1GXU 2HP None
2 3B7G ANP None
3 1ZUI SKM None
4 1KAO GDP None
5 2EW1 GNP None
6 3KPE TM3 None
7 4WOP CTP None
8 4U5X GNP 1.1236
9 1S8F GDP 1.12994
10 1BG2 ADP 1.42857
11 1G3Q ADP 1.42857
12 1U0J ADP 1.42857
13 4DDY DN6 1.42857
14 1KY3 GDP 1.64835
15 2WIC GNP 1.90476
16 6AIC AMP 1.90476
17 2XTN GTP 1.90476
18 2A5J GDP 2.09424
19 5KUT GDP 2.1164
20 4U00 ADP 2.38095
21 3H4S ADP 2.38095
22 4FRZ ADP 2.38095
23 4LPS GDP 2.38095
24 5WC2 ADP 2.38095
25 3IO3 ADP 2.38095
26 3HQ9 OXL 2.38095
27 1UKZ ADP 2.46305
28 3ZVS MLI 2.5
29 5XKT GNP 2.5
30 1Z83 AP5 2.55102
31 1XX6 ADP 2.6178
32 6BSX GDP 2.80899
33 3LRE ADP 2.85714
34 6A20 ADP 2.85714
35 5ZXD ATP 2.85714
36 3NHB ADP 2.85714
37 2PL3 ADP 2.85714
38 1D2E GDP 2.85714
39 1DAR GDP 2.85714
40 4P4T GDP 2.85714
41 4KVA GTP 2.85714
42 1G6O ADP 2.85714
43 1FP6 ADP 2.85714
44 2DPY ADP 2.85714
45 5NM7 GLY 2.85714
46 5ZBR ANP 2.85714
47 5Z69 AGS 2.85714
48 1OBD ATP 2.85714
49 2X7I CIT 2.85714
50 2ZPA ADP 2.85714
51 4GBM A3P 2.85714
52 5H4S RAM 2.85714
53 4QM7 GTP 2.92398
54 2B8W ALF 5GP 3.04878
55 1SVI GDP 3.07692
56 1VC9 ATP 3.1746
57 4J0Q GDP 3.33333
58 2GDJ ANP 3.33333
59 5BN3 ADP 3.33333
60 5E5U MLI 3.33333
61 4ZDJ UTP 3.33333
62 5IRN ADP 3.33333
63 3IUY AMP 3.33333
64 2ZTS ADP 3.33333
65 2FAH GDP 3.33333
66 1DNP MHF 3.33333
67 2FNA ADP 3.33333
68 3A9B BGC 3.33333
69 4FCW ADP 3.33333
70 5M7P ADP 3.33333
71 3W5J GDP 3.43137
72 1I4D GDP 3.64583
73 1DS6 GDP 3.64583
74 2NGR GDP 3.66492
75 1A4R GNH 3.66492
76 1A4R GDP 3.66492
77 1GRN GDP 3.66492
78 2KIN ADP 3.80952
79 5M04 GDP 3.80952
80 4KFU ACP 3.80952
81 1MKY GDP 3.80952
82 1VHT BA3 3.80952
83 1SKQ GDP 3.80952
84 3WY9 GDP 3.80952
85 3WYA GDP 3.80952
86 4DKX GDP 3.80952
87 4B47 GDP 3.80952
88 3BOS CDP 3.80952
89 1G7C 5GP 3.80952
90 3DEF GDP 3.80952
91 1P72 ADP 3.80952
92 5LB3 ADP 3.80952
93 4R43 GDP 3.80952
94 4R2I ANP 3.80952
95 1P72 THM 3.80952
96 4TTQ ATP 3.80952
97 5I34 GDP 3.80952
98 3QXC ATP 3.80952
99 2ZE7 DST 3.80952
100 4QDI ATP 3.80952
101 4D81 ADP 3.80952
102 5VHC BEF ADP 3.80952
103 4RW3 SHV 3.80952
104 4UXU MLK 3.80952
105 2XTZ GSP 3.80952
106 3T5G GDP 3.94737
107 1HE1 GDP 3.97727
108 1LVG ADP 4.0404
109 1QF9 C5P 4.12371
110 1QF9 ALF 4.12371
111 1QF9 ADP 4.12371
112 3REF GDP 4.12371
113 1Z2A GDP 4.16667
114 1BO4 COA 4.16667
115 3Q72 GNP 4.21687
116 1RRC ADP 4.28571
117 4PPF FLC 4.28571
118 5U32 GDP 4.28571
119 2RCN GDP 4.28571
120 3DKP ADP 4.28571
121 3BFV ADP 4.28571
122 2ZR9 DTP 4.28571
123 5W7Q GDP 4.28571
124 5W76 GDP 4.28571
125 4LYA ATP 4.28571
126 5MZN ADP 4.28571
127 4QOS ADP 4.28571
128 4IEE AGS 4.28571
129 5VGR GDP 4.28571
130 4M9Q GNP 4.28571
131 2QZ4 ADP 4.28571
132 1ION ADP 4.28571
133 6CGZ HL6 4.28571
134 4YJ1 ADP 4.28571
135 3EQO LGC 4.28571
136 4NON GDP 4.28571
137 1F5N GNP 4.28571
138 1FNN ADP 4.28571
139 1Y63 ADP 4.34783
140 2ZEJ GDP 4.34783
141 2JAQ DCP 4.39024
142 3IIJ ADP 4.44444
143 2Y8E GNP 4.46927
144 2GCO GNP 4.47761
145 2GCN GDP 4.47761
146 3T1O GDP 4.54545
147 3T12 GDP ALF 4.54545
148 3NKV GNP 4.57143
149 2HV8 GTP 4.65116
150 1G16 GDP 4.70588
151 3Q85 GNP 4.73373
152 2NCD ADP 4.7619
153 1T5C ADP 4.7619
154 3COB ADP 4.7619
155 5TSH ANP 4.7619
156 5TSH ADP 4.7619
157 4YDS ATP 4.7619
158 4KBF AMP 4.7619
159 2ZJ5 ADP 4.7619
160 5E95 GDP 4.7619
161 2D7D ADP 4.7619
162 4JLV ADP 4.7619
163 5JCZ GDP 4.7619
164 4RD0 GDP 4.7619
165 5EXT ADP 4.7619
166 6DEF GCP 4.7619
167 5M37 9SZ 4.7619
168 2VHJ ADP 4.7619
169 4YS0 ADP 4.7619
170 1YTM ATP 4.7619
171 2WJG GDP 4.78723
172 3MWL 8OX 4.83092
173 4E03 ADP 4.85437
174 5TB5 GDP 4.86486
175 5TAR GDP 4.86486
176 4UXH T5A 4.8913
177 1HTW ADP 5.06329
178 1B7T ADP 5.12821
179 4LHW GNP 5.17241
180 1KK8 BEF ADP 5.19481
181 3DOE GTP 5.20833
182 5W75 GDP 5.2381
183 1XMV ADP 5.2381
184 2IS6 ADP 5.2381
185 3TBK ANP 5.2381
186 1V8K ANP 5.2381
187 3FKQ ATP 5.2381
188 3EZ2 ADP 5.2381
189 1Z6T ADP 5.2381
190 1R6B ADP 5.2381
191 3KJI ADP 5.2381
192 1K6M AGS 5.2381
193 4RZ3 ADP 5.2381
194 3RC3 ANP 5.2381
195 4B5W PYR 5.2381
196 5X40 ACP 5.2381
197 6B8B ADP 5.2381
198 2X77 GDP 5.29101
199 1Z08 GNP 5.29412
200 1ZD9 GDP 5.31915
201 1ZJ6 G3D 5.34759
202 1KSH GDP 5.37634
203 2WJH GDP 5.42169
204 2WJH FLC 5.42169
205 5WLB GNP 5.42169
206 1MR3 G3D 5.52486
207 2IYL GDP 5.6338
208 4BQS K2Q 5.68182
209 4BQS ADP 5.68182
210 1B0U ATP 5.71429
211 4LC1 GDP 5.71429
212 4YMU ATP 5.71429
213 1KK1 GNP 5.71429
214 4IHQ ADP 5.71429
215 6G14 G4P 5.71429
216 3ZFD ANP 5.71429
217 2CE7 ADP 5.71429
218 2O0J ADP 5.71429
219 2G77 GDP 5.71429
220 1ZCB GDP 5.71429
221 3BER AMP 5.71429
222 5HR5 ADP 5.71429
223 4XTR ADP 5.71429
224 1CR1 TTP 5.71429
225 4GOX A3P 5.71429
226 1Z06 GNP 5.71429
227 5AK0 8V1 5.71429
228 4BFW ZVW 5.71429
229 4XVU ATP 5.71429
230 5J1J ANP 5.71429
231 1NY5 ADP 5.71429
232 2C9O ADP 5.71429
233 4XTR ATP 5.71429
234 2CHG ANP 5.71429
235 1L2T ATP 5.71429
236 5BQ5 ADP BEF 5.82011
237 2RGX AP5 5.82524
238 5EE5 GTP 5.84795
239 1RYH GNP 5.91133
240 4KAX GTP 5.91716
241 5OEC GDP 6.01093
242 1O3Y GTP 6.0241
243 2J59 GTP 6.0241
244 1R4A GNP 6.06061
245 5O74 GDP 6.09137
246 1RE0 GDP 6.09756
247 1W4R TTP 6.15385
248 3N5C GDP 6.17284
249 3PCR GTP 6.17284
250 1XKV ATP 6.19048
251 1ZIN AP5 6.19048
252 5GOE GDP 6.19048
253 1AKY AP5 6.19048
254 2D2F ADP 6.19048
255 1S3G AP5 6.19048
256 5LTJ ADP 6.19048
257 2WMO GTP 6.19048
258 3DZD ADP 6.19048
259 5G3Y ADP 6.19048
260 1OS1 ATP 6.19048
261 4NU0 AP5 6.19048
262 1OS1 PYR 6.19048
263 2VB6 ADP BEF 6.19048
264 2ORV 4TA 6.19048
265 4X8O AP5 6.19048
266 4PJ3 ANP 6.19048
267 5IRR GSP 6.19048
268 6FAA ADP 6.19048
269 1H65 GDP 6.19048
270 4PFO ADP 6.19048
271 4QRH 0O2 6.19048
272 3QF7 ANP 6.19048
273 2BEK ATP 6.19048
274 5IQZ MAL 6.19048
275 4S00 AKR 6.19048
276 4GOJ GNP 6.34921
277 4D0N GDP 6.48649
278 3AQ4 GDP 6.52174
279 1M7B GTP 6.52174
280 1CXZ GSP 6.59341
281 2V8L GLC GLC GLC GLC GLC GLC GLC 6.60377
282 1FZQ GDP 6.62983
283 5KSZ GCP 6.66667
284 1OXV ANP 6.66667
285 4MKG AP5 6.66667
286 3FB4 AP5 6.66667
287 1PUJ GNP 6.66667
288 2FSH ANP 6.66667
289 1J2J GTP 6.66667
290 2J0V GDP 6.66667
291 5G41 AP5 6.66667
292 2HF9 GSP 6.66667
293 2FH5 GTP 6.66667
294 1NHX FTB 6.66667
295 1NHX PEP 6.66667
296 4ITR GDP 6.66667
297 2GMV PEP 6.66667
298 2GMV UN8 6.66667
299 1RJ9 GCP 6.66667
300 3O3U MLR 6.66667
301 3DM0 GLC GLC 6.66667
302 1OW3 GDP 6.73575
303 2CJW GDP 6.77083
304 1S9D GDP 6.89655
305 4YLG GDP 6.93642
306 5IRC GDP 6.98925
307 3LXR GDP 7.02703
308 6BCB GSP 7.02703
309 6BCA GSP 7.02703
310 2QQ0 THM 7.06522
311 2QQ0 ANP 7.06522
312 2QQ0 TMP 7.06522
313 2QQ0 ADP 7.06522
314 4AG5 ADP 7.14286
315 2WHX ADP 7.14286
316 1YQT ADP 7.14286
317 5YV5 ADP 7.14286
318 1W0J ADP 7.14286
319 5H7K GDP 7.14286
320 2GK6 ADP 7.14286
321 6H5E ANP 7.14286
322 5H7J GCP 7.14286
323 5I0H ADP BEF 7.14286
324 5K5Z ANP 7.14286
325 3T34 GDP 7.14286
326 4K81 GTP 7.14286
327 1U8Z GDP 7.14286
328 4DID GDP 7.23684
329 2W2X GSP 7.25806
330 4XSH GSP 7.26257
331 3AB3 GDP 7.31707
332 2W58 ADP 7.42574
333 2HT6 GDP 7.47126
334 3UIE ANP 7.5
335 3KTA AP5 7.51445
336 3MD0 GDP 7.61905
337 2Y65 ADP 7.61905
338 2XT3 ADP 7.61905
339 1F9V ADP 7.61905
340 2OM2 GDP 7.61905
341 4PX9 ADP 7.61905
342 3EC1 GDP 7.61905
343 1WDT GTP 7.61905
344 6B4K ANP 7.61905
345 1Y3A GDP 7.61905
346 1SVK ALF GDP 7.61905
347 4R98 GNH 7.74908
348 1JJV ATP 7.76699
349 5KSP GDP 7.89474
350 1Z0A GDP 8.04598
351 2OG2 MLI 8.09524
352 3B9Q MLI 8.09524
353 3CNL GNP 8.09524
354 3E70 GDP 8.09524
355 2B8T THM 8.09524
356 3SFV GDP 8.09524
357 2C77 GNP 8.09524
358 5JCP GDP ALF 8.09524
359 2C78 GNP 8.09524
360 1VKJ A3P 8.09524
361 3VX3 ADP 8.09524
362 5M60 BGC 8.09524
363 1GWN GTP 8.29268
364 4BAS GNP 8.54271
365 5HCN GCP 8.57143
366 4A4Z ANP 8.57143
367 4HI0 GDP 8.57143
368 1UJ2 C5P 8.57143
369 1UJ2 ADP 8.57143
370 1OYY AGS 8.57143
371 4YC7 GNP 8.57143
372 1SVM ATP 8.57143
373 5MVR ADP 8.64198
374 1TU3 GNP 8.77193
375 2A5F GTP 8.80829
376 4V0K GDP 8.87574
377 2VOH CIT 8.9172
378 2CBZ ATP 9.04762
379 1JI0 ATP 9.04762
380 3B5J 12D 9.04762
381 5N69 ADP 9.04762
382 5L3W GDP 9.04762
383 3FWY ADP 9.04762
384 5XDR ADP 9.04762
385 4V03 ADP 9.04762
386 5HPY GDP 9.04762
387 2OZE AGS 9.04762
388 1E2K TMC 9.04762
389 1KI6 AHU 9.04762
390 2W83 GTP 9.09091
391 3PQC GDP 9.23077
392 2GKS ADP 9.52381
393 1GOJ ADP 9.52381
394 5CK5 GDP 9.52381
395 3GJ0 GDP 9.52381
396 1R0X ATP 9.52381
397 5BXQ GDP 9.52381
398 3CH5 GDP 9.52381
399 1G7S GDP 9.52381
400 5KDO GDP 9.52381
401 6CRK GDP 9.52381
402 1GP2 GDP 9.52381
403 3Q9L ATP 9.52381
404 4ZG4 VO4 ADP 9.52381
405 1FQJ GDP 9.52381
406 1G41 ADP 9.52381
407 1FQK GDP 9.52381
408 2QN6 GDP 9.67742
409 5DI3 GNP 9.72973
410 1OFH ADP 9.77011
411 1D5C GDP 9.87654
412 1Z0K GTP 9.88372
413 2PZE ATP 10
414 4WZ6 ATP 10
415 3P4X ADP 10
416 3GJ7 GDP 10
417 3GJ4 GDP 10
418 3GJ8 GDP 10
419 3GJ5 GDP 10
420 5L3V GDP 10
421 3ZIA ATP 10
422 4H1V GNP 10
423 1UPT GTP 10
424 2ZFI ADP 10
425 3ZIA ADP 10
426 1X6V ADP 10
427 5Y6N ADP 10
428 5L3S GNP 10
429 2IXE ATP 10
430 5LLB 6YZ 10
431 2OFW ADX 10.0962
432 1KO8 6PG 10.2857
433 1G6H ADP 10.4762
434 3EWA ANP 10.4762
435 4ZNL BEF ADP 10.4762
436 3ITJ CIT 10.4762
437 3VP6 HLD 10.4762
438 1F6B GDP 10.6061
439 4HSE ADP 10.9524
440 4Q1A 2XZ 10.9524
441 4Q1A UDP 10.9524
442 2JLR ANP 10.9524
443 2QG6 NMN 11.0553
444 1Q7L GLY 11.3636
445 3TK1 GDP 11.4286
446 1YRB GDP 11.4286
447 1SQ5 ADP 11.4286
448 3HST MLR 11.4286
449 3H4Z GLC GLC 11.4286
450 2PEZ DAT 11.7318
451 2PEZ GGZ 11.7318
452 1JJ7 ADP 11.9048
453 3U6B GDP 11.9048
454 4P3Y GDP 11.9048
455 2HCJ GDP 11.9048
456 5JBQ GDP 11.9048
457 4G5G GDP 11.9048
458 4DCT GDP 11.9048
459 1D8T GDP 11.9048
460 3U6K GDP 11.9048
461 2BVN GNP 11.9048
462 4PC3 GDP 11.9048
463 1QHG ATP 11.9048
464 1YTV MAL 11.9048
465 3GJ3 GDP 12.1212
466 2CK3 ANP 12.3288
467 2VVG ADP 12.381
468 5FTB ANP 12.381
469 1XP8 AGS 12.381
470 5FHD ADP ALF 12.381
471 5L3R GCP 12.381
472 1W7J ADP BEF 12.5828
473 4MKF AP5 12.8571
474 3H86 AP5 13.0208
475 4CVN ADP 13.089
476 3WXM GTP 13.3333
477 4ZI2 GNP 13.5338
478 1G4U GDP 13.8095
479 1QHH ATP 13.913
480 2AWN ADP 14.2857
481 2BCG GDP 14.2857
482 1IHU AF3 14.2857
483 3RLF ANP 14.2857
484 1IHU ADP 14.2857
485 1YZG GDP 14.5251
486 1Z0F GDP 14.5251
487 4XR8 MAL 14.5695
488 5YT0 GDP 14.7619
489 2FJU GSP 14.7619
490 3KUD GDP 14.8148
491 4D0G GTP 14.8571
492 2CDN ADP 14.9254
493 3FVQ ATP 15.3203
494 6BC0 GSP 15.3333
495 5GVR LMR 15.7143
496 5IFS ADP 15.7143
497 1M2O GNP 15.7895
498 1VG0 GDP 15.942
499 2BME GNP 16.129
500 2QTV GNP 16.1677
501 1OE0 TTP 16.1905
502 2XAU ADP 16.1905
503 5T0B SIA GAL NAG 16.1905
504 2A9K GDP 16.5775
505 3DC4 ADP 16.6667
506 2F9L GDP 17.0854
507 3CPJ GDP 17.1429
508 1VG1 GDP 17.2973
509 1VG9 GDP 17.2973
510 4XGU ADP 17.4528
511 3A1S GDP 17.619
512 1TQ4 GDP 17.619
513 4NCN GTP 17.619
514 4TMZ GSP 17.619
515 1OIV GDP 17.801
516 2V7Q ATP 18.1818
517 2V7Q ADP 18.1818
518 2EFE GNH 18.7845
519 3RWO GDP 18.9189
520 6C90 ADP 19.2308
521 1NRJ GTP 19.5238
522 1GOT GDP 20
523 2QEN ADP 20.4762
524 5Z84 CHD 20.5479
525 2OBM ADP 20.9524
526 5FG3 GDP 21.9048
527 1M7G AV2 35.2381
528 1M7G ADX 35.2381
529 1M7G ADP 35.2381
530 3A4M ADP 40.4762
Pocket No.: 2; Query (leader) PDB : 2YOH; Ligand: WMJ; Similar sites found with APoc: 69
This union binding pocket(no: 2) in the query (biounit: 2yoh.bio2) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 5VLQ ANP 2.38095
2 5WRJ A3P 2.38095
3 5WRI A3P 2.38095
4 4EBZ NAG NAG NAG NAG 2.85714
5 1XPJ TLA 3.1746
6 2WKQ GTP 3.33333
7 3ZS9 ADP ALF 3.33333
8 1MH1 GNP 3.76344
9 4OI4 ATP 3.80952
10 3BD9 A3P 3.80952
11 3NGU ADP 3.97351
12 5XC5 GTP 3.97727
13 3FYH ADP 4.28571
14 6AU6 GDP 4.28571
15 4ZKD GDP 4.28571
16 3BC1 GNP 4.61538
17 1YZQ GNP 4.70588
18 3RAB GNP 4.73373
19 5UQW GDP 4.7619
20 1CLU DBG 4.81928
21 2J5V PCA 5.2381
22 5O2T GSP 5.32544
23 4WEI GLC GAL 5.41516
24 2G77 AF3 5.71429
25 3CX8 GSP 5.71429
26 1EK0 GNP 5.88235
27 1FWV SGA MAG FUC 5.97015
28 5LTJ BEF 6.19048
29 5N18 8HZ 6.42202
30 2FFQ GSP 6.43275
31 1DAK DPU 6.66667
32 1DAK ADP 6.66667
33 1KMQ GNP 7.06522
34 3KC1 2T6 7.14286
35 1W0J ADP BEF 7.14286
36 4XOI GTP 7.22222
37 1TX4 ALF GDP 7.34463
38 1NJF ADP 7.61905
39 1NJF AGS 7.61905
40 3TKL GTP 8.09524
41 1YVD GNP 8.28402
42 4RM0 FUC NAG GAL 8.57143
43 1R2Q GNP 8.82353
44 3MJH GTP 8.92857
45 6CS8 F9Y 9.04762
46 1LVK MNT BEF 9.04762
47 3QBT GNP 9.77011
48 5L3S G 10
49 1CS4 GSP 10
50 4WZA ACP 10.4762
51 4WZA ADP 10.4762
52 4NE2 ADP 11.4286
53 4NE2 SH2 11.4286
54 6BYF CIT 12.3529
55 2XN3 ID8 12.381
56 1IBR GNP 12.381
57 1IN4 ADP 12.8571
58 3VMF GTP 13.3333
59 1NF3 GNP 14.359
60 5DHF GNP 14.7619
61 3M1I GTP 14.7619
62 1CEB AMH 14.7727
63 3HU3 AGS 15.7143
64 4LJ9 ACP 15.7143
65 1UAD GNP 17.7143
66 5Z2M GTP 18.1818
67 4G86 BNT 21.9048
68 5LEF GTP 22.7273
69 2GJ8 ALF GDP 25
APoc FAQ
Feedback