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Receptor
PDB id Resolution Class Description Source Keywords
2HGS 2.1 Å EC: 6.3.2.3 HUMAN GLUTATHIONE SYNTHETASE HOMO SAPIENS AMINE/CARBOXYLATE LIGASE
Ref.: MOLECULAR BASIS OF GLUTATHIONE SYNTHETASE DEFICIENCY AND A RARE GENE PERMUTATION EVENT. EMBO J. V. 18 3204 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:500;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
GSH A:503;
Valid;
none;
submit data
307.323 C10 H17 N3 O6 S C(CC(...
MG A:501;
A:502;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
SO4 A:504;
A:505;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HGS 2.1 Å EC: 6.3.2.3 HUMAN GLUTATHIONE SYNTHETASE HOMO SAPIENS AMINE/CARBOXYLATE LIGASE
Ref.: MOLECULAR BASIS OF GLUTATHIONE SYNTHETASE DEFICIENCY AND A RARE GENE PERMUTATION EVENT. EMBO J. V. 18 3204 1999
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2HGS - GSH C10 H17 N3 O6 S C(CC(=O)N[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2HGS - GSH C10 H17 N3 O6 S C(CC(=O)N[....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5OES - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 3KAK - 3GC C8 H14 N2 O5 S C(CC(=O)N[....
3 3KAL - HGS C11 H19 N3 O6 S C(CC(=O)N[....
4 2HGS - GSH C10 H17 N3 O6 S C(CC(=O)N[....
5 1M0W - ANP C10 H17 N6 O12 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: GSH; Similar ligands found: 51
No: Ligand ECFP6 Tc MDL keys Tc
1 GSH 1 1
2 HCG 0.75 0.973684
3 HGS 0.730769 0.925
4 GSM 0.690909 0.878049
5 GS8 0.672727 0.840909
6 GDS 0.672727 0.837209
7 GTS 0.672727 0.660714
8 GSF 0.660714 0.72549
9 AHE 0.649123 0.9
10 3GC 0.645833 0.918919
11 HGD 0.637931 0.837209
12 GCG 0.6 0.860465
13 KGT 0.592593 0.923077
14 TGG 0.587302 0.9
15 BWS 0.581818 0.871795
16 TS5 0.573529 0.880952
17 GSB 0.528571 0.878049
18 0HH 0.528571 0.782609
19 GSO 0.521127 0.857143
20 BOB 0.493506 0.75
21 GTB 0.493333 0.631579
22 GBI 0.486842 0.782609
23 48T 0.481013 0.8
24 GTD 0.480519 0.6
25 ESG 0.480519 0.62069
26 L9X 0.480519 0.62069
27 1R4 0.474359 0.62069
28 GIP 0.474359 0.6
29 GBP 0.468354 0.6
30 GPS 0.468354 0.72
31 GPR 0.468354 0.72
32 GAZ 0.457831 0.679245
33 GVX 0.45679 0.8
34 HFV 0.447761 0.8
35 ASV 0.446154 0.9
36 GNB 0.445783 0.6
37 VB1 0.444444 0.9
38 W05 0.444444 0.923077
39 LZ6 0.436782 0.692308
40 ACV 0.430769 0.878049
41 CDH 0.424242 0.818182
42 BCV 0.424242 0.9
43 2G2 0.42029 0.615385
44 HGA 0.42 0.622222
45 MEQ 0.411765 0.658537
46 M8F 0.411765 0.837209
47 TS4 0.410256 0.804348
48 M9F 0.405797 0.837209
49 KKA 0.4 0.894737
50 ACW 0.4 0.8
51 M2W 0.4 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HGS; Ligand: ADP; Similar sites found with APoc: 450
This union binding pocket(no: 1) in the query (biounit: 2hgs.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 4YMJ 4EJ 1.31579
2 2IF8 ADP 1.37741
3 4WNK 453 1.47679
4 4YZC STU 1.48148
5 2V7O DRN 1.4881
6 3DLS ADP 1.49254
7 3TTI KBI 1.50862
8 4U98 ACP 1.54185
9 4UHL VFV 1.56951
10 6AC9 ANP 1.62162
11 2YW2 ATP 1.65094
12 2JLD AG1 1.66667
13 2CSN CKI 1.6835
14 5DEY 59T 1.6835
15 5DZT AMP 1.68776
16 5VZ0 ADP 1.68776
17 5LI1 ANP 1.69492
18 5MW8 ATP 1.69851
19 5LI9 ACP 1.71429
20 3JYY PPV 1.74216
21 6C1S EFV 1.75077
22 3E8N ATP 1.75953
23 3E8N VRA 1.75953
24 3I0O ADP 1.76991
25 3FSY SCA 1.80723
26 4WHZ 3NL 1.81818
27 4N70 2HX 1.82927
28 4NM5 ADP 1.85676
29 6GZD LCI 1.87166
30 4RFM 3P6 1.8797
31 1NJJ GET 1.88235
32 3IGO ANP 1.89873
33 3TM0 ANP 1.90114
34 3TM0 B31 1.90114
35 2X2M X2M 1.91083
36 3CY2 MB9 1.91083
37 4UX9 ANP 1.92308
38 3PTG 932 1.92837
39 5LVP ATP 1.92926
40 2WQN ADP 1.93548
41 5GZ9 ANP 1.96721
42 3SLS ANP 1.97368
43 4Y93 746 2.01794
44 5X8I SQZ 2.02312
45 2JDR L20 2.04678
46 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 2.04678
47 6G33 5ID 2.0649
48 3DAK ANP 2.06897
49 1U59 STU 2.09059
50 3G5D 1N1 2.0979
51 4Y85 499 2.10843
52 2GQR ADP 2.1097
53 1OPK P16 2.1097
54 3VOT ADP 2.11765
55 3HZT J60 2.14133
56 3UIM ANP 2.14724
57 3SRV S19 2.16606
58 3BZ3 YAM 2.17391
59 4MO2 FDA 2.17391
60 4F4P 0SB 2.1978
61 3G3N TC8 2.20126
62 6FYL 3NG 2.20386
63 2YRX AMP 2.21729
64 5JKG 6LF 2.2508
65 5UR1 YY9 2.2508
66 2CFM AMP 2.32068
67 5DXT 5H5 2.32068
68 4O1P ANP 2.32068
69 1ZTH ADP 2.32558
70 1PHK ATP 2.34899
71 6CQF F97 2.3569
72 4QTB 38Z 2.36842
73 4ZGP ADP 2.38908
74 1V0O INR 2.43056
75 2QK4 ATP 2.43363
76 5A6N U7E 2.4735
77 2VQ5 HBA 2.48756
78 2YAB AMP 2.49307
79 4A4X JUP 2.50896
80 1ZZ7 S0H 2.52525
81 5VLQ ANP 2.53165
82 2PZI AXX 2.53165
83 4L9I 8PR 2.53165
84 4UCF GLA 2.53165
85 4PNI KQQ 2.53165
86 4ZS4 ATP 2.60586
87 1PK8 ATP 2.60664
88 5IH1 GDP 2.64901
89 5IH1 6BQ 2.64901
90 4PU5 ANP 2.64901
91 5CEO 50D 2.66667
92 3HAV ATP 2.67559
93 3FHR P4O 2.67857
94 3Q60 ATP 2.69542
95 5DMZ ADP 2.73973
96 3PVW QRX 2.74262
97 4AUA 4AU 2.74262
98 5UKL SIX 2.74262
99 3ALN ANP 2.75229
100 1T3D CYS 2.76817
101 5VC5 96M 2.76817
102 4O08 PO6 2.80374
103 1S68 AMP 2.81124
104 2A19 ANP 2.8169
105 1ELI PYC 2.82776
106 4CC6 L5Y 2.83019
107 4FG8 ATP 2.85714
108 5MY8 RXZ 2.87206
109 2VPQ ANP 2.88248
110 4QMN DB8 2.90323
111 1TZD ADP 2.90909
112 3PDT ADP 2.90909
113 4R78 AMP 2.91262
114 3MVH WFE 2.92398
115 6CGD AKN 2.95082
116 6CGD GNP 2.95082
117 2GQS ADP 2.95359
118 4ONA UW1 2.95359
119 4OAV ACP 2.95359
120 1W2D 4IP 3.01887
121 1W2D ADP 3.01887
122 1CKN GTP 3.0303
123 1CKM GTP 3.0303
124 4H3P ANP 3.03867
125 4H3Q ANP 3.03867
126 3GC0 AMP 3.03951
127 5BVE 4VG 3.04709
128 4C1K PEP 3.05344
129 3LXK MI1 3.0581
130 1KJ8 ATP 3.06905
131 1KJ8 GAR 3.06905
132 5TDF ADP 3.08642
133 4UAL 3FV 3.10263
134 4UXL 5P8 3.10559
135 5USZ SKE 3.11419
136 4YZN 4K5 3.13589
137 1RE8 BD2 3.14286
138 2YAK OSV 3.15789
139 3ETH ATP 3.16456
140 3UDZ ADP 3.16456
141 4UWH JXM 3.16456
142 3V8S 0HD 3.17073
143 5HVJ ANP 3.1746
144 5LXM ADP 3.18021
145 4E93 GUI 3.18302
146 6FL8 TIY 3.19149
147 6FL8 ADP 3.19149
148 4Y0X ADP 3.2
149 3K5I AIR 3.22581
150 3K5I ADP 3.22581
151 2F2U M77 3.23383
152 4USF 6UI 3.28947
153 4OH4 ANP 3.3033
154 5LPZ ADP 3.31325
155 5HCY 60D 3.32326
156 4I94 ANP 3.33333
157 6A1G 9OL 3.33333
158 5FI4 5XV 3.37553
159 3O2K QRP 3.37553
160 6F3G CJN 3.38983
161 4AZW ATP 3.39703
162 2B9F ADP 3.39943
163 2B9J ADP 3.39943
164 2B9H ADP 3.39943
165 3TKI S25 3.40557
166 5XVG 8FX 3.41297
167 2HY0 306 3.41615
168 2XOC ADP 3.44828
169 4XH0 ADP 3.47395
170 4XZ3 ACP 3.47826
171 1AUX AGS 3.53698
172 1TE2 PGA 3.53982
173 2PYW ADP 3.57143
174 3EKK GS2 3.58306
175 1T36 ADP 3.5865
176 3BU5 ATP 3.59477
177 1IR3 ANP 3.59477
178 4U44 3D9 3.61446
179 3VHE 42Q 3.62117
180 5EXK 5AD 3.62538
181 4IDT T28 3.65169
182 3GGF GVD 3.65448
183 3WUD GLC GAL 3.67647
184 3C0G 3AM 3.7037
185 1EHI ADP 3.71353
186 4IX4 ADP 3.71429
187 4NW6 2NS 3.71517
188 5LPB ADP 3.71622
189 2R5T ANP 3.75335
190 5YK1 ANP 3.76106
191 2F57 23D 3.78549
192 5F90 LMR 3.84615
193 5F90 GLA GAL 3.84615
194 1OH2 SUC 3.87409
195 1A0T SUC 3.87409
196 5KO1 6UY 3.88693
197 4BFM ANP 3.89222
198 5AX9 4KT 3.8961
199 3FHI ANP 3.8961
200 5TO8 7FM 3.90071
201 1TQP ATP 3.90071
202 6BXI ANP 3.9039
203 4GLW 0XT 3.93443
204 5ZTN CUR 3.9627
205 4FL3 ANP 4.00844
206 3M2W L8I 4.01338
207 4GYI ADP 4.03023
208 2PUL ACP 4.03023
209 4G7A AZM 4.03226
210 3ZRM ZRM 4.04313
211 2Z7R STU 4.04984
212 5U5G 7VD 4.0678
213 5C03 AGS 4.09357
214 5WNL STU 4.09357
215 4AG8 AXI 4.11392
216 3TY5 ATP 4.11622
217 3TY5 ADP 4.11622
218 4BTK DTQ 4.1543
219 4F9C 0SX 4.15512
220 1OFZ FUL 4.16667
221 6G34 5ID 4.20168
222 4OUC 5ID 4.20168
223 4MV1 ADP 4.21941
224 1IOW ADP 4.24837
225 1IOW PHY 4.24837
226 3TXO 07U 4.24929
227 4WW7 AMP 4.27807
228 4CLI 5P8 4.28135
229 3TPV ADE 4.31818
230 3AQV TAK 4.34783
231 2XK9 XK9 4.34783
232 6CMJ F6J 4.36137
233 5FYR INS 4.36242
234 3HMO STU 4.38596
235 4EUU BX7 4.38871
236 4AU8 Z3R 4.39189
237 3V4S ATP 4.39277
238 3V4S ADP 4.39277
239 4OTH DRN 4.39883
240 4WOV 3SM 4.4164
241 2BMB PMM 4.43038
242 3O0G 3O0 4.45205
243 3WVR AMP 4.47427
244 4XYM A12 4.52586
245 4NFN 2KC 4.53074
246 5W4W 9WG 4.53172
247 4KBA 1QM 4.53172
248 1ZY5 ANP 4.62046
249 6EZ6 C5Z 4.64135
250 4NFE BEN 4.64135
251 5AE9 OKO 4.64135
252 5EH0 5NW 4.65116
253 2ZV2 609 4.69799
254 5JZJ AN2 4.7138
255 2OG2 MLI 4.73538
256 5XQW 8EU 4.73934
257 5OKT 9XK 4.77707
258 5N87 N66 4.79233
259 5TT6 ATP 4.82234
260 2RIO ADP 4.83871
261 5Y86 HRM 4.85232
262 2QF7 AGS 4.85232
263 4RDL FUC GAL NDG FUC 4.87013
264 5DBX ANP 4.87805
265 6C0T EE4 4.89914
266 2V58 LZJ 4.89978
267 3IDB ANP 4.96894
268 3DNT ATP 5
269 2GWH PCI 5.03356
270 2PVN P63 5.11364
271 5L8L ADP 5.12821
272 1O9U ADZ 5.14286
273 3F7Z 34O 5.14286
274 4NZN ANP 5.15152
275 4NZN 2OU 5.15152
276 2VQD AP2 5.17241
277 1U5R ATP 5.17241
278 2AQX ATP 5.19031
279 1XJD STU 5.21739
280 1Z2P I3S 5.24691
281 1Z2P ACP 5.24691
282 4LH7 1X8 5.26316
283 3TII ANP 5.26316
284 2IO8 ADP 5.27426
285 4WNP 3RJ 5.27426
286 4OCJ NDG 5.27704
287 4OCV ANP 5.27704
288 4M69 ANP 5.30035
289 3GQI ACP 5.30973
290 1BYG STU 5.39568
291 3RE4 TO1 5.42636
292 5M06 ADP 5.43478
293 3B99 U51 5.48523
294 4E1Z 0MX 5.49828
295 5CKW ANP 5.54324
296 3KFF XBT 5.55556
297 3KFF ZBT 5.55556
298 5I8T LAC 5.58659
299 5EFQ ADP 5.59701
300 6D61 4AA 5.64103
301 1A5V Y3 5.6962
302 6BS6 GLC GLC GLC 5.6962
303 4N14 WR7 5.73248
304 1UNH IXM 5.76923
305 5V2J 7WV 5.79065
306 5V2J UDP 5.79065
307 1OBD ATP 5.88235
308 2ZUX RAM 5.90717
309 2BKK ADP 5.91716
310 4NST ADP 5.98291
311 6AYU F6P 6.05187
312 4JNJ BTN 6.08696
313 3ORK AGS 6.10932
314 5EO8 TFU 6.10932
315 4IZY 1J2 6.11814
316 2FB3 5AD 6.17647
317 2FB3 MET 6.17647
318 5T8O 76Z 6.30372
319 3VSV XYS 6.32911
320 4K33 ACP 6.46154
321 5COU ATP 6.47059
322 5EQY 5RA 6.48379
323 4I6H 1C8 6.49351
324 5C1P ADP 6.53595
325 5C1P DAL DAL 6.53595
326 3TDV GDP 6.53595
327 5IH9 6BF 6.56716
328 3CF6 SP1 6.58683
329 3X01 AMP 6.61578
330 1PVN MZP 6.64894
331 1I06 TZL 6.66667
332 5JAX 6J7 6.66667
333 4PZ6 GMP 6.69975
334 3PLS ANP 6.71141
335 1JPA ANP 6.73077
336 3KN5 ANP 6.76923
337 1CM8 ANP 6.81199
338 2CST MAE 6.81265
339 4DC2 ADE 6.81818
340 3E5A VX6 6.81818
341 1DMY AZM 6.85484
342 3SAO DBH 6.875
343 1VKF CIT 6.91489
344 4WVW SLT 6.94444
345 5WO4 B7V 6.95364
346 5AWM ANP 7.1066
347 3VPD ANP 7.11744
348 1AV5 AP2 7.14286
349 3NW7 LGV 7.16612
350 5IM3 DTP 7.173
351 4EWH T77 7.27273
352 1K3A ACP 7.35786
353 6BJ0 G6P 7.38397
354 6BXL SAM 7.40741
355 3ORQ ADP 7.42706
356 1I7L ATP 7.44337
357 3BF8 MLA 7.45098
358 4JR7 GNP 7.48663
359 4IJP 1EH 7.5419
360 4CFU 2WC 7.59076
361 6GUE FB8 7.61589
362 1OGX EQU 7.63359
363 4BCM T7Z 7.6412
364 4BCQ TJF 7.6412
365 4BCN T9N 7.66667
366 6C7Y ADP 7.69231
367 3KRL KRL 7.76119
368 5ZCT ANP 7.84314
369 5I35 ANP 7.88804
370 4L3L 5FI 7.89474
371 5Y80 IRE 7.98722
372 3W21 AKG 8.05861
373 4BHN BH9 8.08383
374 2PVF ACP 8.08383
375 3WO0 ALA 8.08511
376 3WO0 ADP 8.08511
377 5UPK ANP 8.10811
378 3NBC LAT 8.10811
379 3PN1 IVH 8.1761
380 2Q7D ANP 8.3815
381 3N1S 5GP 8.40336
382 3KMW ATP 8.52713
383 3RI1 3RH 8.6262
384 2BPM 529 8.73786
385 3GM5 CIT 8.80503
386 6E2O S0L 8.81356
387 5LXT ACP 9.09091
388 2WU6 DKI 9.18635
389 4INI AMP 9.23077
390 4KS7 X4Z 9.24658
391 4O4F IHP 9.27419
392 4O4F ATP 9.27419
393 1Q8Y ADP 9.38338
394 1Q8Y ADE 9.38338
395 2R7K AMZ 9.41828
396 2R7K ACP 9.41828
397 1BHX ASP PHE GLU GLU ILE 9.52381
398 1IA9 ANP 9.64286
399 4G17 0VN 9.69697
400 3LXN MI1 9.74843
401 4GJ3 0XP 9.93377
402 3W0O HY0 10.0287
403 3W0O ADP 10.0287
404 3LQV ADE 10.2564
405 2CBO TH2 10.4348
406 5OMY 9YE 10.4859
407 5NBW 8SK 10.8108
408 2QCS ANP 11.3402
409 1E4E ADP 11.6618
410 3AKK ADP 11.6923
411 4FE2 ADP 11.7647
412 3AB4 THR 11.7978
413 2ZQO NGA 12.3077
414 5YF9 NIO 12.3894
415 4K37 SAM 12.4324
416 4K39 SAM 12.4324
417 4K38 SAM 12.4324
418 1JBU BEN 12.6984
419 5G1X ADP 12.6984
420 3PE2 E1B 12.7596
421 2VZ6 FEF 12.7796
422 5K2M ADP 13.2075
423 3VPB ADP 13.4752
424 3VPC ADP 13.4752
425 6E8I PTR 13.6095
426 3KMT SAH 14.2857
427 4OFG PCG 14.5833
428 2WEL K88 14.6789
429 3GNI ATP 14.956
430 2GU8 796 15
431 4WB6 ATP 15
432 4WB7 ATP 15
433 3K8D KDO 15.1515
434 5ODT ADP 15.2174
435 4C2W ANP 15.3846
436 2VN9 GVD 15.9468
437 2QX0 PH2 16.3522
438 4DFU QUE 17.7019
439 5HQ0 LZ9 17.8571
440 6GU6 1QK 17.8571
441 5C4L 4XR 18.0685
442 5C4L SIS 18.0685
443 4C2V YJA 18.1818
444 4LRJ ANP 18.9349
445 1UPR 4IP 19.5122
446 4M1U A2G MBG 20.202
447 1CBK ROI 20.625
448 4Q5H ANP 21.0526
449 4X7Q 3YR 24.6795
450 1TUK PGM 28.3582
Pocket No.: 2; Query (leader) PDB : 2HGS; Ligand: ADP; 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: 2hgs.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2HGS; Ligand: GSH; Similar sites found with APoc: 32
This union binding pocket(no: 3) in the query (biounit: 2hgs.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 1KEV NDP 1.4245
2 3Q9T FAY 1.47679
3 2O07 SPD 1.64474
4 2O07 MTA 1.64474
5 4HA6 FAD 1.68776
6 5LQ8 GB 1.77305
7 1U3U BNF 2.13904
8 1U3U NAD 2.13904
9 1RM0 NAI 2.32068
10 1RM0 D6P 2.32068
11 5NM7 GLY 3.00752
12 1RYD GLC 3.10078
13 4WCX MET 3.16456
14 1VBH PEP 3.37553
15 3ICC NAP 3.52941
16 4JX1 CAM 3.53982
17 4LNU GTP 3.5503
18 2VDF OCT 3.55731
19 2C6Q NDP 3.7037
20 5NXX 3Q7 3.73134
21 4BJH DOR 4.21941
22 5N18 8HZ 4.58716
23 6HKE LMR 5.03145
24 6HKE MLT 5.03145
25 6EV2 BGC 5.06912
26 1JA9 NDP 6.20438
27 1PVN MZP 6.64894
28 5BTX CMP 8.90411
29 3RYC GTP 9.09091
30 5IDM ANP 11.7318
31 2FQX GMP 12.2642
32 1HSL HIS 12.605
Pocket No.: 4; Query (leader) PDB : 2HGS; Ligand: GSH; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2hgs.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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