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Receptor
PDB id Resolution Class Description Source Keywords
1M0W 1.8 Å EC: 6.3.2.3 YEAST GLUTATHIONE SYNTHASE BOUND TO GAMMA-GLUTAMYL-CYSTEINE, AMP-PNP AND 2 MAGNESIUM IONS SACCHAROMYCES CEREVISIAE AMINE/CARBOXYLATE LIGASE STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS NYSGXRC
Ref.: LARGE CONFORMATIONAL CHANGES IN THE CATALYTIC CYCLE OF GLUTATHIONE SYNTHASE STRUCTURE V. 10 1669 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3GC A:501;
B:1501;
Valid;
Valid;
none;
none;
submit data
250.272 C8 H14 N2 O5 S C(CC(...
ANP A:504;
B:1504;
Valid;
Valid;
none;
none;
submit data
506.196 C10 H17 N6 O12 P3 c1nc(...
MG A:502;
A:503;
B:1502;
B:1503;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
SO4 A:506;
A:507;
A:511;
B:508;
B:509;
B:510;
B:512;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
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
1M0W 1.8 Å EC: 6.3.2.3 YEAST GLUTATHIONE SYNTHASE BOUND TO GAMMA-GLUTAMYL-CYSTEINE, AMP-PNP AND 2 MAGNESIUM IONS SACCHAROMYCES CEREVISIAE AMINE/CARBOXYLATE LIGASE STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVE NEW YORK SGX RESEARCH CENTER FOR STRUCTURAL GENOMICS NYSGXRC
Ref.: LARGE CONFORMATIONAL CHANGES IN THE CATALYTIC CYCLE OF GLUTATHIONE SYNTHASE STRUCTURE V. 10 1669 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1M0W - ANP C10 H17 N6 O12 P3 c1nc(c2c(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 1M0W - ANP C10 H17 N6 O12 P3 c1nc(c2c(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: 3GC; Similar ligands found: 39
No: Ligand ECFP6 Tc MDL keys Tc
1 3GC 1 1
2 GSH 0.645833 0.918919
3 HGS 0.62 0.85
4 HGA 0.512195 0.666667
5 MEQ 0.5 0.710526
6 GCG 0.484375 0.790698
7 GS8 0.482143 0.772727
8 GDS 0.482143 0.767442
9 GTS 0.482143 0.607143
10 GSM 0.473684 0.804878
11 GSF 0.473684 0.666667
12 KKA 0.470588 0.971429
13 AHE 0.465517 0.825
14 VB1 0.464286 0.871795
15 HCG 0.464286 0.894737
16 TS5 0.462687 0.809524
17 2G2 0.459016 0.62
18 HGD 0.457627 0.767442
19 BWS 0.444444 0.794872
20 W05 0.438596 0.894737
21 MHI 0.431034 0.789474
22 M8F 0.42623 0.809524
23 OCV 0.42623 0.804878
24 DGL 0.425 0.705882
25 DGN 0.425 0.794118
26 GGL 0.425 0.705882
27 GLN 0.425 0.794118
28 GLU 0.425 0.705882
29 ACV 0.423729 0.85
30 TGG 0.421875 0.825
31 HFV 0.419355 0.772727
32 BCV 0.416667 0.871795
33 ASV 0.416667 0.871795
34 CDH 0.416667 0.790698
35 SC2 0.414634 0.722222
36 HCS 0.410256 0.705882
37 DCY 0.405405 0.647059
38 CYS 0.405405 0.647059
39 ONL 0.404762 0.605263
Ligand no: 2; Ligand: ANP; Similar ligands found: 373
No: Ligand ECFP6 Tc MDL keys Tc
1 ANP 1 1
2 A2D 0.810811 0.945205
3 B4P 0.802632 0.945205
4 AP5 0.802632 0.945205
5 ADP 0.802632 0.972222
6 BA3 0.789474 0.945205
7 AU1 0.782051 1
8 HEJ 0.772152 0.972222
9 ATP 0.772152 0.972222
10 AT4 0.769231 0.933333
11 AN2 0.769231 0.986111
12 5FA 0.7625 0.972222
13 AQP 0.7625 0.972222
14 M33 0.759494 0.932432
15 MAP 0.752941 0.972973
16 ACP 0.75 0.945946
17 AR6 0.740741 0.945205
18 APR 0.740741 0.945205
19 ACQ 0.73494 0.945946
20 AD9 0.731707 0.945946
21 SAP 0.731707 0.921053
22 AGS 0.731707 0.921053
23 A 0.723684 0.944444
24 AMP 0.723684 0.944444
25 ATF 0.717647 0.933333
26 ADX 0.716049 0.851852
27 CA0 0.716049 0.92
28 6YZ 0.709302 0.945946
29 50T 0.707317 0.932432
30 PRX 0.698795 0.87013
31 ABM 0.696203 0.893333
32 AP2 0.679012 0.933333
33 A12 0.679012 0.933333
34 APC 0.678571 0.933333
35 T99 0.674419 0.933333
36 TAT 0.674419 0.933333
37 A22 0.674157 0.958904
38 SRA 0.670886 0.894737
39 SRP 0.670455 0.883117
40 5AL 0.666667 0.906667
41 A1R 0.659341 0.884615
42 ADQ 0.659341 0.92
43 A3R 0.659341 0.884615
44 3OD 0.648936 0.92
45 BIS 0.648936 0.909091
46 5SV 0.648352 0.82716
47 9X8 0.645161 0.896104
48 OAD 0.645161 0.92
49 25L 0.642105 0.958904
50 AMO 0.641304 0.907895
51 G5P 0.636364 0.897436
52 DLL 0.634409 0.906667
53 AHX 0.634409 0.897436
54 00A 0.634409 0.860759
55 ADV 0.632184 0.907895
56 RBY 0.632184 0.907895
57 ADP PO3 0.632184 0.917808
58 NB8 0.631579 0.897436
59 25A 0.630435 0.945205
60 OOB 0.630435 0.906667
61 8QN 0.630435 0.906667
62 G3A 0.626263 0.897436
63 4AD 0.623656 0.896104
64 PAJ 0.623656 0.8625
65 LAD 0.621053 0.839506
66 TXA 0.614583 0.907895
67 1ZZ 0.614583 0.819277
68 ME8 0.614583 0.819277
69 GTA 0.613861 0.864198
70 9ZD 0.612903 0.909091
71 9ZA 0.612903 0.909091
72 3UK 0.610526 0.894737
73 SON 0.604651 0.907895
74 ADP ALF 0.604396 0.848101
75 ALF ADP 0.604396 0.848101
76 PR8 0.604167 0.829268
77 B5V 0.604167 0.883117
78 WAQ 0.604167 0.860759
79 4UV 0.6 0.871795
80 GAP 0.6 0.87013
81 PTJ 0.597938 0.873418
82 FYA 0.597938 0.881579
83 VO4 ADP 0.597826 0.906667
84 ADP VO4 0.597826 0.906667
85 LMS 0.597561 0.829268
86 UP5 0.596154 0.896104
87 FA5 0.59596 0.883117
88 YAP 0.59596 0.871795
89 PAP 0.595506 0.958333
90 A4P 0.59434 0.823529
91 XAH 0.59 0.841463
92 4UU 0.588235 0.871795
93 AFH 0.588235 0.8625
94 9SN 0.585859 0.85
95 2A5 0.58427 0.894737
96 T5A 0.583333 0.821429
97 DQV 0.582524 0.932432
98 NAI 0.580952 0.884615
99 B5M 0.58 0.871795
100 B5Y 0.58 0.871795
101 ITT 0.579545 0.917808
102 ATR 0.577778 0.944444
103 OMR 0.575472 0.831325
104 5AS 0.574713 0.781609
105 YLP 0.571429 0.8
106 48N 0.571429 0.873418
107 AP0 0.570093 0.873418
108 4TC 0.570093 0.873418
109 7D3 0.569767 0.881579
110 ADJ 0.568807 0.831325
111 GNP 0.568421 0.922078
112 9GM 0.568421 0.922078
113 DAL AMP 0.568421 0.881579
114 6V0 0.566038 0.873418
115 TXD 0.566038 0.884615
116 DND 0.566038 0.907895
117 NAX 0.566038 0.851852
118 4UW 0.566038 0.839506
119 NXX 0.566038 0.907895
120 XYA 0.565789 0.821918
121 RAB 0.565789 0.821918
122 ADN 0.565789 0.821918
123 AOC 0.564706 0.8
124 7D4 0.561798 0.881579
125 ADP BMA 0.561224 0.894737
126 TXE 0.560748 0.884615
127 TYM 0.560748 0.883117
128 GA7 0.557692 0.883117
129 YLC 0.555556 0.819277
130 YLB 0.555556 0.8
131 139 0.554545 0.851852
132 5N5 0.551282 0.797297
133 JB6 0.55 0.860759
134 LAQ 0.54717 0.819277
135 F2R 0.544643 0.843373
136 MYR AMP 0.544554 0.797619
137 5CD 0.544304 0.783784
138 A4D 0.544304 0.797297
139 80F 0.54386 0.821429
140 7MD 0.542857 0.864198
141 6AD 0.542553 0.886076
142 A2R 0.541667 0.958904
143 UPA 0.541284 0.884615
144 YLA 0.540541 0.8
145 A A 0.54 0.918919
146 BTX 0.539823 0.821429
147 COD 0.539823 0.793103
148 HFD 0.537634 0.921053
149 G5A 0.537634 0.781609
150 3DH 0.535714 0.753247
151 AYB 0.535714 0.790698
152 CNA 0.535714 0.907895
153 BT5 0.535088 0.811765
154 ATP A A A 0.533981 0.905405
155 IOT 0.531532 0.811765
156 MTA 0.53012 0.753247
157 3AM 0.529412 0.90411
158 A3P 0.52809 0.944444
159 PPS 0.526316 0.851852
160 NAD 0.526316 0.906667
161 EP4 0.52439 0.734177
162 7D5 0.52381 0.855263
163 AMP DBH 0.52381 0.87013
164 J7C 0.522727 0.75
165 A5A 0.520833 0.809524
166 EAD 0.520661 0.851852
167 TSB 0.520408 0.821429
168 AHZ 0.518519 0.797619
169 DTA 0.518072 0.766234
170 M2T 0.518072 0.716049
171 A3D 0.517241 0.894737
172 6RE 0.517241 0.740741
173 YLY 0.516949 0.790698
174 SSA 0.515464 0.802326
175 NA7 0.514852 0.933333
176 ARG AMP 0.514019 0.809524
177 AR6 AR6 0.514019 0.893333
178 7MC 0.513514 0.843373
179 A2P 0.511111 0.930556
180 52H 0.510204 0.781609
181 VMS 0.510204 0.790698
182 54H 0.510204 0.790698
183 TYR AMP 0.509434 0.848101
184 TAD 0.509259 0.8625
185 NAQ 0.508333 0.85
186 A3N 0.505618 0.766234
187 AV2 0.505155 0.893333
188 53H 0.50505 0.781609
189 5CA 0.50505 0.802326
190 8X1 0.50505 0.755556
191 ARU 0.504951 0.839506
192 ZID 0.504132 0.894737
193 P1H 0.504 0.831325
194 NAE 0.5 0.871795
195 3AT 0.5 0.945205
196 AVV 0.5 0.873418
197 P5A 0.495146 0.747253
198 NSS 0.49505 0.802326
199 LSS 0.49505 0.764045
200 DSZ 0.49505 0.802326
201 N0B 0.491803 0.8
202 AF3 ADP 3PG 0.491071 0.817073
203 NVA LMS 0.490196 0.755556
204 DAT 0.489362 0.881579
205 IMO 0.488889 0.90411
206 ZAS 0.488636 0.792208
207 FDA 0.488372 0.813953
208 NAJ PZO 0.487395 0.85
209 4TA 0.487179 0.788235
210 LPA AMP 0.486486 0.797619
211 LEU LMS 0.485437 0.755556
212 DTP 0.484536 0.881579
213 V3L 0.484536 0.945205
214 S4M 0.483516 0.651685
215 GJV 0.483516 0.731707
216 DZD 0.483051 0.8625
217 2AM 0.482759 0.917808
218 5AD 0.481013 0.726027
219 GSU 0.480769 0.781609
220 KAA 0.480769 0.755556
221 NDE 0.480315 0.907895
222 M24 0.479339 0.851852
223 MAO 0.478261 0.761905
224 NEC 0.477778 0.727273
225 DSH 0.477778 0.707317
226 FAS 0.477273 0.831325
227 FAD 0.477273 0.831325
228 RGT 0.476636 0.933333
229 9K8 0.47619 0.698925
230 G A A A 0.474576 0.85
231 0WD 0.474576 0.897436
232 FNK 0.474074 0.786517
233 5X8 0.473684 0.74359
234 6FA 0.473282 0.821429
235 NDC 0.472868 0.85
236 FB0 0.472868 0.786517
237 YSA 0.472222 0.781609
238 7DD 0.468085 0.958333
239 OVE 0.466667 0.881579
240 MHZ 0.463158 0.701149
241 8PZ 0.462963 0.802326
242 A G 0.462185 0.860759
243 AMP NAD 0.462185 0.881579
244 A3G 0.461538 0.779221
245 NAJ PYZ 0.459677 0.809524
246 6C6 0.459184 0.858974
247 SFG 0.458333 0.730769
248 U A G G 0.458333 0.860759
249 7D7 0.45679 0.723684
250 128 0.45614 0.8
251 SFD 0.455224 0.736842
252 6IA 0.454545 0.817073
253 DDS 0.454545 0.855263
254 GDP 0.454545 0.896104
255 ODP 0.453782 0.886076
256 NJP 0.453782 0.921053
257 7DT 0.453608 0.958333
258 A7D 0.452632 0.75641
259 Z5A 0.452381 0.802326
260 WSA 0.452174 0.790698
261 U A 0.45082 0.884615
262 7C5 0.45045 0.797468
263 FAY 0.449275 0.841463
264 NDP 0.449153 0.897436
265 SA8 0.44898 0.690476
266 A5D 0.44898 0.766234
267 71V 0.446809 0.884615
268 GGZ 0.446602 0.804878
269 RFL 0.446043 0.802326
270 2SA 0.445545 0.907895
271 SAI 0.444444 0.716049
272 GP3 0.444444 0.897436
273 SAH 0.444444 0.725
274 PO4 PO4 A A A A PO4 0.443396 0.878378
275 A A A 0.443396 0.881579
276 4YB 0.442478 0.764045
277 SMM 0.441176 0.670455
278 S7M 0.441176 0.674419
279 GTP 0.441176 0.896104
280 Y3J 0.440476 0.706667
281 SAM 0.44 0.674419
282 649 0.439655 0.747253
283 12D 0.438596 0.809524
284 A3S 0.4375 0.789474
285 NPW 0.436975 0.864198
286 GCP 0.436893 0.873418
287 AAT 0.435644 0.690476
288 GNH 0.435644 0.909091
289 EEM 0.435644 0.674419
290 ETB 0.435484 0.813953
291 DCA 0.435484 0.804598
292 N6P 0.433962 0.890411
293 NZQ 0.433333 0.886076
294 TXP 0.433333 0.897436
295 PGS 0.43299 0.860759
296 APU 0.432203 0.871795
297 PUA 0.432 0.8625
298 62F 0.431655 0.841463
299 F2N 0.431507 0.795455
300 DA 0.430108 0.855263
301 D5M 0.430108 0.855263
302 J7V 0.429688 0.813953
303 NIA 0.428571 0.848101
304 COA 0.428571 0.804598
305 6K6 0.428571 0.905405
306 A3T 0.428571 0.8
307 0T1 0.428571 0.804598
308 P5F 0.427586 0.804598
309 AAM 0.425532 0.944444
310 0UM 0.424528 0.682353
311 8Q2 0.423729 0.775281
312 G1R 0.423077 0.884615
313 AMZ 0.422222 0.891892
314 C2R 0.422222 0.88
315 A U 0.420168 0.848101
316 IDP 0.42 0.894737
317 GSP 0.419048 0.851852
318 30N 0.418605 0.736842
319 CAO 0.418605 0.777778
320 DG1 0.418605 0.897436
321 1DG 0.418605 0.897436
322 COS 0.418605 0.786517
323 AMX 0.418605 0.813953
324 TM1 0.418182 0.797619
325 A6D 0.416667 0.746988
326 K15 0.416667 0.666667
327 V1N 0.415929 0.893333
328 CMX 0.415385 0.804598
329 SCO 0.415385 0.804598
330 GEK 0.415094 0.719512
331 XNP 0.414634 0.851852
332 NHD 0.414634 0.881579
333 9JJ 0.413793 0.841463
334 AIR 0.413793 0.876712
335 COK 0.413534 0.786517
336 G2R 0.412844 0.8625
337 ACO 0.412214 0.777778
338 FAM 0.412214 0.786517
339 FCX 0.412214 0.777778
340 NAP 0.410853 0.92
341 FA9 0.409396 0.843373
342 SXZ 0.409091 0.694118
343 HAX 0.409091 0.806818
344 TAP 0.407692 0.884615
345 2MC 0.407407 0.752688
346 62X 0.407407 0.651685
347 GKE 0.40708 0.8625
348 GDC 0.40708 0.8625
349 GDD 0.40708 0.8625
350 3KK 0.406015 0.786517
351 FYN 0.406015 0.804598
352 NVA 2AD 0.405941 0.740741
353 NA0 0.40458 0.907895
354 101 0.404255 0.855263
355 G 0.40404 0.883117
356 5GP 0.40404 0.883117
357 HDV 0.403846 0.87013
358 MGP 0.403846 0.8625
359 OXK 0.402985 0.786517
360 MCD 0.402985 0.786517
361 CA6 0.402985 0.714286
362 SOP 0.402985 0.786517
363 3AD 0.402299 0.783784
364 S8M 0.401869 0.78481
365 YE1 0.40146 0.795455
366 NMX 0.4 0.782609
367 7RP 0.4 0.902778
368 2VA 0.4 0.779221
369 1VU 0.4 0.777778
370 CO6 0.4 0.786517
371 CMC 0.4 0.786517
372 6G0 0.4 0.8625
373 GMV 0.4 0.873418
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1M0W; Ligand: ANP; Similar sites found with APoc: 524
This union binding pocket(no: 1) in the query (biounit: 1m0w.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5KK4 44E None
2 3U7S 017 None
3 5VLQ ANP 1.01833
4 1VJY 460 1.32013
5 5IH1 GDP 1.3245
6 5IH1 6BQ 1.3245
7 5YK1 ANP 1.32743
8 5DXT 5H5 1.42566
9 2PYW ADP 1.42857
10 3E8N ATP 1.46628
11 3E8N VRA 1.46628
12 6BXI ANP 1.5015
13 4Y85 499 1.50602
14 4DFU QUE 1.5528
15 5C4L 4XR 1.55763
16 5C4L SIS 1.55763
17 6ES0 BW8 1.57729
18 5JGA 6KC 1.5873
19 5ZM4 AKG 1.63399
20 5ZM4 9FU 1.63399
21 4EE7 PIS 1.64474
22 4YMJ 4EJ 1.64474
23 4AT3 LTI 1.67224
24 4IJP 1EH 1.67598
25 2Q4H AMP 1.7094
26 2WA4 069 1.7192
27 2VQD AP2 1.72414
28 4YZC STU 1.7284
29 4OTH DRN 1.75953
30 1IA9 ANP 1.78571
31 4QTB 38Z 1.84211
32 3AKK ADP 1.84615
33 4PJT 2YQ 1.89189
34 1PK8 ATP 1.89573
35 1CM8 ANP 1.90736
36 4N14 WR7 1.91083
37 3VC1 GST 1.92308
38 4U98 ACP 1.98238
39 3TXO 07U 1.983
40 3C0G 3AM 1.9943
41 2XMY CDK 2.01342
42 2H8H H8H 2.03666
43 5OMY 9YE 2.04604
44 3BP1 GUN 2.06897
45 3TII ANP 2.10526
46 3VPC ADP 2.12766
47 3VPD ANP 2.13523
48 2R5T ANP 2.14477
49 3UIM ANP 2.14724
50 3KN5 ANP 2.15385
51 5EKO N17 2.15633
52 4NJH SAM 2.17391
53 4NJH 2K8 2.17391
54 1Y57 MPZ 2.21239
55 2Q1S NAI 2.24033
56 2PVN P63 2.27273
57 3TPV ADE 2.27273
58 2XOC ADP 2.29885
59 1ZY5 ANP 2.31023
60 5WO4 B7V 2.31788
61 5MW8 ATP 2.33546
62 3MVH WFE 2.33918
63 2YNC YNC 2.34375
64 2YNE YNE 2.34375
65 2YNE NHW 2.34375
66 6CQF F97 2.3569
67 1IID NHM 2.36967
68 4BTK DTQ 2.37389
69 4OCJ NDG 2.37467
70 2PVF ACP 2.39521
71 5VC5 96M 2.42215
72 3GC8 B45 2.43243
73 2VPQ ANP 2.43902
74 4Y93 746 2.46637
75 3RFA SAM 2.47525
76 4XH0 ADP 2.48139
77 2F2U M77 2.48756
78 2PZI AXX 2.49633
79 3VV1 GAL FUC 2.5
80 5AWM ANP 2.53807
81 4FG8 ATP 2.53968
82 4AZW ATP 2.54777
83 3RI1 3RH 2.55591
84 5UR1 YY9 2.57235
85 1AUX AGS 2.57235
86 3TTI KBI 2.58621
87 4NFN 2KC 2.589
88 2HK5 1BM 2.59259
89 4I6H 1C8 2.5974
90 5ZCT ANP 2.61438
91 5GZ9 ANP 2.62295
92 1I7E IBS 2.64151
93 5Y86 HRM 2.64766
94 4FL3 ANP 2.64766
95 4FFG LBS 2.64766
96 4O1P ANP 2.64766
97 3I0O ADP 2.65487
98 4Y0X ADP 2.66667
99 4G31 0WH 2.67559
100 3FHR P4O 2.67857
101 4BFM ANP 2.69461
102 4U44 3D9 2.71084
103 5EXK 5AD 2.71903
104 4G17 0VN 2.72727
105 5DMZ ADP 2.73973
106 2AQX ATP 2.76817
107 2PUL ACP 2.77078
108 6A1G 9OL 2.77778
109 1I06 TZL 2.77778
110 3VHE 42Q 2.78552
111 6G34 5ID 2.80112
112 4OUC 5ID 2.80112
113 4X3R 686 2.85132
114 3W0O ADP 2.86533
115 3W0O HY0 2.86533
116 1QY1 PRZ 2.87356
117 2VZ6 FEF 2.8754
118 1BYG STU 2.8777
119 5CKW ANP 2.88248
120 4ONA UW1 2.89256
121 5VCV 1N1 2.89389
122 3RWP ABQ 2.89389
123 5LVP ATP 2.89389
124 1TZD ADP 2.90909
125 4EWH T77 2.90909
126 5K2M ADP 2.9304
127 3EKK GS2 2.9316
128 1OBD ATP 2.94118
129 1IR3 ANP 2.94118
130 4L9Z COA 2.94985
131 4TWP AXI 2.95203
132 4NFE BEN 2.95359
133 4MOB COA 3.01205
134 1W2D ADP 3.01887
135 1W2D 4IP 3.01887
136 5ZTN CUR 3.0303
137 4H3Q ANP 3.03867
138 4H3P ANP 3.03867
139 5BVE 4VG 3.04709
140 1OPK P16 3.05499
141 4IZY 1J2 3.05499
142 4OAV ACP 3.05499
143 2QF7 AGS 3.05499
144 3E7O 35F 3.05556
145 3LXK MI1 3.0581
146 4WHZ 3NL 3.11688
147 4CRL C1I 3.15789
148 4AG8 AXI 3.16456
149 4CS9 AMP 3.1746
150 3ORQ ADP 3.18302
151 5JKG 6LF 3.21543
152 5EO8 TFU 3.21543
153 2WQN ADP 3.22581
154 6FL8 ADP 3.25866
155 6FL8 TIY 3.25866
156 5IM3 DTP 3.25866
157 2O3Z AI7 3.25866
158 4C5N PXL 3.26087
159 4C5N ACP 3.26087
160 1EIX BMQ 3.26531
161 3IGO ANP 3.29218
162 3PTG 932 3.30579
163 5LPZ ADP 3.31325
164 1KJ8 ATP 3.32481
165 1KJ8 GAR 3.32481
166 3AB4 THR 3.37079
167 4RFM 3P6 3.38346
168 4K33 ACP 3.38462
169 3DAK ANP 3.44828
170 3WDM ADN 3.44828
171 4CC6 L5Y 3.45912
172 5AE9 OKO 3.46232
173 6EZ6 C5Z 3.46232
174 4UWH JXM 3.46232
175 1OLT SAM 3.46232
176 3G5D 1N1 3.4965
177 5C03 AGS 3.50877
178 6BFN DL1 3.50877
179 3VRY B43 3.52423
180 4GYI ADP 3.52645
181 4AUA 4AU 3.58306
182 3TDV GDP 3.59477
183 2OFV 242 3.61011
184 4IDT T28 3.65169
185 4CYI ATP 3.65297
186 6C1S EFV 3.66599
187 2BMB PMM 3.66599
188 4I94 ANP 3.66667
189 2CSN CKI 3.7037
190 2GJ5 VD3 3.7037
191 5UIU 8CG 3.71517
192 3LXN MI1 3.77358
193 2BKK ADP 3.78788
194 3TM0 B31 3.80228
195 3TM0 ANP 3.80228
196 4UAL 3FV 3.81862
197 4INI AMP 3.84615
198 5LXM ADP 3.88693
199 5TO8 7FM 3.90071
200 4OH4 ANP 3.9039
201 1IOW PHY 3.92157
202 1IOW ADP 3.92157
203 5HCY 60D 3.92749
204 4GJ3 0XP 3.97351
205 4CSV STI 4
206 5T8O 76Z 4.01146
207 3C1X CKK 4.02145
208 3PLS ANP 4.02685
209 1PHK ATP 4.02685
210 4O4F ATP 4.03226
211 4O4F IHP 4.03226
212 5X8I SQZ 4.04624
213 1XJD STU 4.05797
214 5EW9 5VC 4.05904
215 6F3G CJN 4.0678
216 6GUE FB8 4.07332
217 3UDZ ADP 4.07332
218 5VSM 5AD 4.08805
219 5VSM MET 4.08805
220 2F57 23D 4.10095
221 4XV1 904 4.10959
222 2FB3 GTP 4.11765
223 2FB3 5AD 4.11765
224 2FB3 MET 4.11765
225 5H2U 1N1 4.11985
226 4UX9 ANP 4.12088
227 4E1Z 0MX 4.12371
228 6G33 5ID 4.12979
229 6FYL 3NG 4.13223
230 5USZ SKE 4.15225
231 4X7Q 3YR 4.16667
232 6CZ3 FLJ 4.16667
233 3ORK AGS 4.18006
234 4YZN 4K5 4.18118
235 5TA6 79D 4.18994
236 4TUO SIA GAL SIA GLC NGA 4.20561
237 1I7L ATP 4.20712
238 4R78 AMP 4.20712
239 3K5I AIR 4.21836
240 3K5I ADP 4.21836
241 5LI1 ANP 4.23729
242 5KO1 6UY 4.24028
243 4NZN ANP 4.24242
244 4NZN 2OU 4.24242
245 1TQP ATP 4.25532
246 6CGD GNP 4.2623
247 6CGD AKN 4.2623
248 4GLW 0XT 4.2623
249 3RE4 TO1 4.26357
250 5DZT AMP 4.27699
251 4CQE CQE 4.31655
252 3X01 AMP 4.3257
253 3SRV S19 4.33213
254 3TKI S25 4.33437
255 3HAV ATP 4.34783
256 2HY0 306 4.34783
257 5ETR 5RW 4.34783
258 5ETR APC 4.34783
259 3TY5 ATP 4.35835
260 3TY5 ADP 4.35835
261 5LPB ADP 4.39189
262 4F4P 0SB 4.3956
263 5YF9 NIO 4.42478
264 4ZGP ADP 4.43686
265 6GWR FEW 4.44444
266 1T36 ADP 4.45026
267 3PE2 E1B 4.45104
268 6FYV 3NG 4.45104
269 2X2M X2M 4.4586
270 5DRB 5FJ 4.46735
271 3VOT ADP 4.47059
272 3FC2 IBI 4.47761
273 5IH9 6BF 4.47761
274 3DLS ADP 4.47761
275 4MV1 ADP 4.48718
276 5EQY 5RA 4.48878
277 1V0O INR 4.51389
278 4WNP 3RJ 4.52962
279 4ZS4 ATP 4.56026
280 5LI9 ACP 4.57143
281 4IX4 ADP 4.57143
282 4X60 3XV 4.57143
283 1OGX EQU 4.58015
284 5TDF ADP 4.62963
285 2QK4 ATP 4.64602
286 4A4X JUP 4.6595
287 2CM4 RCL 4.66667
288 3WO0 ALA 4.68085
289 3WO0 ADP 4.68085
290 3VSV XYS 4.68432
291 4WB7 ATP 4.69136
292 3WVR AMP 4.69799
293 5EOB 5QQ 4.70219
294 5COU ATP 4.70588
295 5M06 ADP 4.71014
296 2YW2 ATP 4.71698
297 2WU6 DKI 4.72441
298 4AU8 Z3R 4.72973
299 1ST0 GTG 4.74777
300 5G1X ADP 4.7619
301 5OF1 SAL 4.7619
302 4E93 GUI 4.77454
303 2B9H ADP 4.81586
304 2B9F ADP 4.81586
305 2B9I ADP 4.81586
306 2B9J ADP 4.81586
307 2E56 MYR 4.86111
308 3NW7 LGV 4.88599
309 6C0T EE4 4.89914
310 4L3L 5FI 4.93421
311 3N1S 5GP 5.04202
312 5JZJ AN2 5.05051
313 3PDT ADP 5.09091
314 2Z49 AMG 5.09259
315 2Z48 NGA 5.09259
316 2V58 LZJ 5.12249
317 4K38 SAM 5.13514
318 4K37 SAM 5.13514
319 4WB6 ATP 5.14286
320 1A78 TDG 5.22388
321 5NKB 8ZT 5.22876
322 4UXL 5P8 5.2795
323 4PU5 ANP 5.29801
324 5IGI GMP 5.31561
325 5IGI ZIT 5.31561
326 4EUU BX7 5.32915
327 5CEO 50D 5.33333
328 1Q8Y ADE 5.36193
329 1Q8Y ADP 5.36193
330 4J7Q B7N 5.40541
331 1RE8 BD2 5.42857
332 2QCS ANP 5.42857
333 3FHI ANP 5.42857
334 5FIT AP2 5.44218
335 4EN4 GT0 5.44872
336 4EN4 GT1 5.44872
337 4EN4 ATP 5.44872
338 1CKM GTP 5.45455
339 1CKN GTP 5.45455
340 1U5R ATP 5.45977
341 5VZ0 ADP 5.49898
342 2CFM AMP 5.49898
343 5AX9 4KT 5.51948
344 2RIO ADP 5.52995
345 5WNL STU 5.55556
346 2WEI VGG 5.57491
347 1UPR 4IP 5.69106
348 4WW7 AMP 5.70265
349 1DZK PRZ 5.73248
350 2YRX AMP 5.76497
351 5F90 LMR 5.76923
352 5F90 GLA GAL 5.76923
353 1J3R 6PG 5.78947
354 4N70 2HX 5.79268
355 4OCV ANP 5.80475
356 4P5Z Q7M 5.81717
357 1E4E ADP 5.8309
358 4RDL FUC GAL NDG FUC 5.84416
359 3V8S 0HD 5.85366
360 6GZD LCI 5.88235
361 4PNI KQQ 5.90631
362 6E8I PTR 5.91716
363 1T3Q MCN 5.95238
364 1OLM VTQ 5.95534
365 2A19 ANP 5.98592
366 2OO8 RAJ 5.99369
367 3M2W L8I 6.02007
368 3CY2 MB9 6.05096
369 2IF8 ADP 6.06061
370 5I35 ANP 6.10687
371 3BZ3 YAM 6.15942
372 2JLD AG1 6.19048
373 3PP0 03Q 6.21302
374 5H5A 6OU 6.25
375 1U59 STU 6.27178
376 4BHN BH9 6.28743
377 5U6C 7YS 6.34921
378 4C2W ANP 6.45161
379 5OO5 UUA 6.45161
380 3ETH ATP 6.47887
381 4LRJ ANP 6.50888
382 1MH5 HAL 6.52174
383 5C1P DAL DAL 6.53595
384 5C1P ADP 6.53595
385 2XVD AS6 6.62252
386 2R7K AMZ 6.6482
387 2R7K ACP 6.6482
388 4C2V YJA 6.66667
389 3GC0 AMP 6.68693
390 4KZV TRE 6.71642
391 5EFQ ADP 6.71642
392 2VN9 GVD 6.72098
393 2V7O DRN 6.72098
394 3HMO STU 6.72515
395 2GQR ADP 6.75105
396 2GQS ADP 6.75105
397 2BPM 529 6.79245
398 2J73 GLC GLC GLC 6.79612
399 4NST ADP 6.83761
400 4BCM T7Z 6.87023
401 4BCN T9N 6.87023
402 4BCQ TJF 6.87023
403 4CFU 2WC 6.87023
404 4NM5 ADP 6.89655
405 4F9C 0SX 6.94444
406 5W4W 9WG 6.94864
407 4KBA 1QM 6.94864
408 5RHN 8BR 6.95652
409 6GIN IR2 6.97674
410 4XBA 5GP 7
411 3ZRM ZRM 7.00809
412 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 7.01754
413 2JDR L20 7.01754
414 4M69 ANP 7.02875
415 3GNI ATP 7.03812
416 5K21 6QF 7.0922
417 6E2O S0L 7.11864
418 5FI4 5XV 7.12831
419 1UNH IXM 7.21154
420 2Y6O 1N1 7.2165
421 5OKT 9XK 7.32484
422 5YBN AKG 7.32484
423 5N87 N66 7.34824
424 5DEY 59T 7.40741
425 3F7Z 34O 7.42857
426 1O9U ADZ 7.42857
427 4B8V NDG NAG NAG NAG 7.45614
428 3KRL KRL 7.46269
429 2QX0 PH2 7.54717
430 1ZEI CRS 7.54717
431 3SLS ANP 7.56579
432 5HVJ ANP 7.61905
433 6GQM F8H 7.62195
434 5LXT ACP 7.69231
435 3KMW ATP 7.75194
436 2YAB AMP 7.75623
437 5JFS 6K0 7.79221
438 5MJA 7O3 7.86885
439 3ALN ANP 7.95107
440 3SXS PP2 8.20895
441 5DBX ANP 8.23171
442 1Z2P ACP 8.33333
443 1Z2P I3S 8.33333
444 1JPA ANP 8.33333
445 3AQV TAK 8.33333
446 4WNK 453 8.35031
447 2Q7D ANP 8.3815
448 1S68 AMP 8.43373
449 5HES 032 8.46906
450 5A6N U7E 8.48057
451 3V4S ADP 8.52713
452 3V4S ATP 8.52713
453 5L8L ADP 8.54701
454 6AC9 ANP 8.64865
455 3ZS7 ATP 8.66667
456 5BV3 M7G 8.69565
457 4WUP 3UF 8.84615
458 5EH0 5NW 8.91473
459 4IPH 1FJ 8.94309
460 2XK9 XK9 9.00621
461 1EHI ADP 9.01857
462 4Y8D 49J 9.11765
463 2YAK OSV 9.12281
464 2IO8 ADP 9.16497
465 4CLI 5P8 9.17431
466 5XVG 8FX 9.21502
467 1CBK ROI 9.375
468 5HQ0 LZ9 9.52381
469 6GU6 1QK 9.52381
470 1OUK 084 9.56284
471 4NW6 2NS 9.59752
472 2Z7R STU 9.65732
473 6CMJ F6J 9.65732
474 5Y80 IRE 9.90415
475 3O0G 3O0 10.0671
476 1ZTH ADP 10.0775
477 3A6T 8OG 10.0775
478 1ZP9 ATP 10.0775
479 2GC0 PAN 10.1064
480 4JR7 GNP 10.1604
481 5EYK 5U5 10.1695
482 6GR0 F8W 10.3448
483 2ZV2 609 10.4027
484 5I8T LAC 10.6145
485 3GGF GVD 10.6312
486 5MY8 RXZ 10.705
487 3PVW QRX 10.8108
488 4USF 6UI 10.8553
489 2FR6 CTN 10.9589
490 4XYM A12 11.3043
491 3WUD GLC GAL 11.7647
492 3IDB ANP 11.8012
493 4ZOH MCN 11.8126
494 4Q5H ANP 11.8421
495 6E2B PT7 11.8421
496 2J7T 274 11.9205
497 2V1O COA 11.9205
498 4QMN DB8 11.9355
499 2WEL K88 12
500 3GQI ACP 12.3894
501 5UKL SIX 12.9032
502 5DH3 5BS 13.3333
503 1JBU BEN 13.7795
504 1EP2 ORO 13.7931
505 3PN1 IVH 14.1509
506 3VPB ADP 14.2857
507 1GT4 UNA 14.4654
508 4MNS 2AX 15.0943
509 3LQV ADE 15.3846
510 5WA9 9ZD 15.5039
511 4LH7 1X8 15.7895
512 1AV5 AP2 15.873
513 6C7Y ADP 16.2393
514 4LOO SB4 17.2414
515 4PZ6 GMP 19.0476
516 4XZ3 ACP 19.1304
517 4KS7 X4Z 19.5205
518 3HZT J60 19.5519
519 5UPK ANP 20.8333
520 4DC2 ADE 21.4286
521 5ODT ADP 23.913
522 4K39 SAM 27.7778
523 3BU5 ATP 33.3333
524 3E5A VX6 43.1818
525 1K3A ACP 50
Pocket No.: 2; Query (leader) PDB : 1M0W; Ligand: 3GC; Similar sites found with APoc: 15
This union binding pocket(no: 2) in the query (biounit: 1m0w.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 3TTM PUT 1.44509
2 2R14 TXD 1.59151
3 3LDW ZOL 3.28283
4 1RX0 FAD 5.08906
5 1Z0N BCD 5.20833
6 3WH1 NAG NAG NAG NAG 5.33981
7 4YEF 4CQ 5.61798
8 2UVO NAG 9.35672
9 2UVO NDG 9.35672
10 4AML GYU 9.35672
11 5DEX 5E0 11.3014
12 5YJ1 6EL 12.6126
13 5YJ0 EF2 12.6126
14 5YIZ EF2 12.6126
15 1PN4 HDC 12.8571
Pocket No.: 3; Query (leader) PDB : 1M0W; Ligand: 3GC; Similar sites found with APoc: 2
This union binding pocket(no: 3) in the query (biounit: 1m0w.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4XYB NDP 4.60358
2 3E3U NVC 6.59898
Pocket No.: 4; Query (leader) PDB : 1M0W; Ligand: ANP; Similar sites found with APoc: 17
This union binding pocket(no: 4) in the query (biounit: 1m0w.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
1 3UA1 08Y 1.02669
2 3DNT ATP 2.04545
3 6GSZ BGC 3.05499
4 5XVR TRH 3.125
5 5GLT BGC GAL NAG GAL 3.52113
6 6A3J SOE 3.65854
7 4TVD BGC 4.27699
8 5FLJ QUE 4.30108
9 3QTP 2PG 4.53515
10 1SLT NDG GAL 5.22388
11 3SAO DBH 6.25
12 3GLC R5P 6.77966
13 5FBN 5WF 7.38007
14 2BLN FON 7.54098
15 3JYY PPV 9.40767
16 4WVW SLT 9.72222
17 5BWD FUM 16.6667
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