Receptor
PDB id Resolution Class Description Source Keywords
1ATS 2.43 Å EC: 3.6.1.3 THREONINE 204 OF THE CHAPERONE PROTEIN HSC70 INFLUENCES THE STRUCTURE OF THE ACTIVE SITE BUT IS NOT ESSENTIAL FOR ATP H YDROLYSIS BOS TAURUS CHAPERONE PROTEIN
Ref.: THREONINE 204 OF THE CHAPERONE PROTEIN HSC70 INFLUENCES THE STRUCTURE OF THE ACTIVE SITE, BUT IS NOT ESSENTIAL FOR ATP HYDROLYSIS. J.BIOL.CHEM. V. 268 24323 1993
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:486;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:487;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BUP 1.7 Å EC: 3.6.1.3 T13G MUTANT OF THE ATPASE FRAGMENT OF BOVINE HSC70 BOS TAURUS MOLECULAR CHAPERONE ATPASE HYDROLASE (ACTING ON ACID ANHYDCHAPERONE
Ref.: THE HYDROXYL OF THREONINE 13 OF THE BOVINE 70-KDA H SHOCK COGNATE PROTEIN IS ESSENTIAL FOR TRANSDUCING ATP-INDUCED CONFORMATIONAL CHANGE. BIOCHEMISTRY V. 37 15392 1998
Members (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1ATS - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 1NGJ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 1KAZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 1QQN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1NGH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
6 1NGE - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 1KAY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 1ATR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 1NGC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
10 1BUP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1QQM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
12 1KAX - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 1NGF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
14 1NGD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 2QWM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 2BUP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 1NGA - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 4H5T - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
19 1BA1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
20 3HSC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 1NGI - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
22 1HPM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
23 1BA0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
24 1QQO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
25 2QWL - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
26 1NGB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
27 1NGG - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (42)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1ATS - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 1NGJ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 1KAZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 1QQN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1NGH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
6 1NGE - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 1KAY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 1ATR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 1NGC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
10 1BUP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1QQM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
12 1KAX - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 1NGF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
14 1NGD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 2QWM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 2BUP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 1NGA - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 4H5T - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
19 1BA1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
20 3HSC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 1NGI - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
22 1HPM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
23 1BA0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
24 1QQO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
25 2QWL - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
26 1NGB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
27 1NGG - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
28 3ATU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 1HJO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
30 1S3X - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
31 2E8A - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
32 3ATV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
33 3AY9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
34 3JXU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
35 3GDQ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
36 3FE1 - ADP MG n/a n/a
37 3LDP Kd = 2.41 uM 3P1 C20 H21 N7 O4 c1ccc2c(c1....
38 3LDL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
39 3LDO - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
40 3IUC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
41 3I33 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
42 3QFU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (46)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1ATS - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 1NGJ - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 1KAZ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 1QQN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1NGH - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
6 1NGE - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 1KAY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 1ATR - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 1NGC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
10 1BUP - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 1QQM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
12 1KAX - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 1NGF - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
14 1NGD - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
15 2QWM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
16 2BUP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 1NGA - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 4H5T - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
19 1BA1 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
20 3HSC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
21 1NGI - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
22 1HPM - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
23 1BA0 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
24 1QQO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
25 2QWL - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
26 1NGB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
27 1NGG - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
28 3ATU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
29 1HJO - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
30 1S3X - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
31 2E8A - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
32 3ATV - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
33 3AY9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
34 3JXU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
35 3GDQ - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
36 2V7Y - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
37 3FE1 - ADP MG n/a n/a
38 4GNI - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
39 3LDP Kd = 2.41 uM 3P1 C20 H21 N7 O4 c1ccc2c(c1....
40 3LDL - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
41 3LDO - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
42 3IUC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
43 3I33 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
44 3QFU - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
45 4JN4 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
46 4JNE - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 382
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 5FA 0.887324 1
5 AQP 0.887324 1
6 B4P 0.884058 0.971831
7 AP5 0.884058 0.971831
8 BA3 0.869565 0.971831
9 M33 0.833333 0.958333
10 ACQ 0.826667 0.972222
11 A 0.823529 0.971429
12 AMP 0.823529 0.971429
13 ACP 0.821918 0.972222
14 AR6 0.810811 0.971831
15 APR 0.810811 0.971831
16 ANP 0.802632 0.972222
17 AD9 0.8 0.972222
18 AGS 0.8 0.945946
19 SAP 0.8 0.945946
20 ADX 0.783784 0.873418
21 CA0 0.783784 0.945205
22 TAT 0.779221 0.958904
23 AMP MG 0.774648 0.891892
24 50T 0.773333 0.958333
25 ABM 0.763889 0.917808
26 PRX 0.763158 0.893333
27 APC 0.763158 0.958904
28 ATF 0.759494 0.958904
29 A22 0.753086 0.985915
30 AP2 0.743243 0.958904
31 A12 0.743243 0.958904
32 ADP MG 0.736842 0.905405
33 SRA 0.736111 0.918919
34 ADQ 0.73494 0.945205
35 25L 0.732558 0.985915
36 ADP BEF 0.727273 0.881579
37 BEF ADP 0.727273 0.881579
38 5AL 0.725 0.931507
39 2A5 0.717949 0.918919
40 A1R 0.714286 0.907895
41 AU1 0.714286 0.972222
42 ADP PO3 0.708861 0.943662
43 PAP 0.708861 0.985714
44 ATR 0.708861 0.971429
45 SRP 0.707317 0.906667
46 25A 0.702381 0.971831
47 ATP MG 0.7 0.905405
48 OAD 0.697674 0.945205
49 ADV 0.6875 0.932432
50 RBY 0.6875 0.932432
51 00A 0.686047 0.883117
52 BIS 0.681818 0.933333
53 3OD 0.681818 0.945205
54 ADP ALF 0.674699 0.87013
55 ALF ADP 0.674699 0.87013
56 AMO 0.674419 0.932432
57 4AD 0.674419 0.92
58 PAJ 0.674419 0.884615
59 GAP 0.670732 0.893333
60 MAP 0.670588 0.945946
61 ADP VO4 0.666667 0.931507
62 DLL 0.666667 0.931507
63 AHX 0.666667 0.896104
64 ANP MG 0.666667 0.894737
65 PTJ 0.662921 0.896104
66 SON 0.658228 0.932432
67 PR8 0.651685 0.85
68 LAD 0.651685 0.860759
69 ITT 0.65 0.943662
70 G5P 0.648936 0.921053
71 XYA 0.647059 0.84507
72 RAB 0.647059 0.84507
73 ADN 0.647059 0.84507
74 NB8 0.644444 0.896104
75 ME8 0.644444 0.839506
76 FYA 0.644444 0.905405
77 TXA 0.644444 0.932432
78 1ZZ 0.644444 0.839506
79 6AD 0.642857 0.909091
80 ADP BMA 0.640449 0.918919
81 G3A 0.638298 0.921053
82 DAL AMP 0.632184 0.905405
83 AFH 0.631579 0.884615
84 GTA 0.625 0.886076
85 FA5 0.623656 0.906667
86 YAP 0.623656 0.894737
87 UP5 0.622449 0.92
88 XAH 0.617021 0.839506
89 AV2 0.616279 0.917808
90 AOC 0.615385 0.821918
91 NAI 0.606061 0.907895
92 DND 0.606061 0.932432
93 TXD 0.606061 0.907895
94 NAX 0.606061 0.873418
95 NXX 0.606061 0.932432
96 5N5 0.605634 0.819444
97 5AS 0.604938 0.77907
98 A4P 0.60396 0.843373
99 DAT 0.60241 0.905405
100 A2R 0.602273 0.985915
101 5CD 0.597222 0.805556
102 A4D 0.597222 0.819444
103 4TC 0.594059 0.896104
104 AP0 0.594059 0.896104
105 A3P 0.592593 0.971429
106 139 0.592233 0.873418
107 T5A 0.592233 0.841463
108 ATP A A A 0.589474 0.930556
109 LAQ 0.585859 0.839506
110 MYR AMP 0.585106 0.817073
111 YLP 0.58 0.819277
112 UPA 0.578431 0.907895
113 ADJ 0.576923 0.851852
114 3AM 0.576923 0.929577
115 COD 0.575472 0.811765
116 NAD 0.575472 0.931507
117 3AT 0.574713 0.971831
118 EP4 0.573333 0.753247
119 A2P 0.573171 0.957143
120 CNA 0.571429 0.932432
121 TYM 0.568627 0.906667
122 PPS 0.568182 0.873418
123 M2T 0.565789 0.734177
124 DTA 0.565789 0.786667
125 AR6 AR6 0.565657 0.917808
126 A3D 0.564815 0.918919
127 3DH 0.564103 0.773333
128 G5A 0.563218 0.77907
129 YLB 0.563107 0.819277
130 YLC 0.563107 0.839506
131 AMP DBH 0.561224 0.893333
132 MTA 0.558442 0.773333
133 DTP 0.556818 0.905405
134 AHZ 0.554455 0.817073
135 NA7 0.553191 0.958904
136 IOT 0.552381 0.831325
137 ZAS 0.55 0.766234
138 7MD 0.55 0.8625
139 IMO 0.548781 0.929577
140 YLA 0.54717 0.819277
141 NAE 0.544643 0.894737
142 TAD 0.544554 0.884615
143 A5A 0.544444 0.807229
144 2AM 0.544304 0.943662
145 TSB 0.543478 0.819277
146 AYB 0.542056 0.809524
147 NAQ 0.539823 0.871795
148 V3L 0.539326 0.971831
149 AF3 ADP 3PG 0.538462 0.8375
150 ALF ADP 3PG 0.538462 0.8375
151 LA8 ALF 3PG 0.538462 0.8375
152 SSA 0.538462 0.8
153 ZID 0.535088 0.918919
154 LPA AMP 0.533981 0.817073
155 54H 0.532609 0.788235
156 52H 0.532609 0.77907
157 VMS 0.532609 0.788235
158 BTX 0.53211 0.841463
159 A3N 0.53012 0.786667
160 BT5 0.527273 0.831325
161 5CA 0.526882 0.8
162 53H 0.526882 0.77907
163 ARU 0.526316 0.860759
164 EAD 0.525862 0.873418
165 RGT 0.525253 0.958904
166 OVE 0.52439 0.905405
167 S4M 0.52381 0.666667
168 GDP 0.522222 0.92
169 DDS 0.522222 0.878378
170 AVV 0.521277 0.896104
171 NDE 0.521008 0.932432
172 7MC 0.518868 0.841463
173 DSH 0.518072 0.725
174 MAO 0.517647 0.759036
175 NSS 0.515789 0.8
176 DSZ 0.515789 0.8
177 LSS 0.515789 0.761364
178 P5A 0.515464 0.744444
179 DZD 0.513514 0.884615
180 NVA LMS 0.510417 0.761364
181 12D 0.509615 0.785714
182 NAD IBO 0.509091 0.87013
183 M24 0.508772 0.85
184 YLY 0.508772 0.809524
185 P1H 0.508333 0.851852
186 5AD 0.506849 0.746479
187 LEU LMS 0.505155 0.761364
188 4TA 0.504505 0.807229
189 G A A A 0.504505 0.871795
190 NAJ PZO 0.504425 0.848101
191 NDC 0.5 0.871795
192 128 0.5 0.776471
193 A3G 0.5 0.8
194 KAA 0.5 0.752809
195 GSU 0.5 0.77907
196 N0B 0.495726 0.819277
197 NJP 0.495495 0.945946
198 ODP 0.495495 0.909091
199 2SA 0.494624 0.932432
200 6C6 0.494505 0.881579
201 SFG 0.494382 0.75
202 0WD 0.491071 0.921053
203 YSA 0.490196 0.77907
204 PO4 PO4 A A A A PO4 0.489796 0.902778
205 SAM 0.48913 0.690476
206 6IA 0.48913 0.8375
207 A7D 0.488636 0.776316
208 6FA 0.488 0.841463
209 FB0 0.487805 0.804598
210 NAJ PYZ 0.487179 0.85
211 A5D 0.483516 0.786667
212 IDP 0.483516 0.918919
213 SA8 0.483516 0.707317
214 PGS 0.483146 0.883117
215 MHZ 0.483146 0.697674
216 NEC 0.482353 0.746667
217 D5M 0.482353 0.878378
218 DA 0.482353 0.878378
219 NIA 0.481928 0.822785
220 FAD 0.480315 0.851852
221 FAS 0.480315 0.851852
222 FDA 0.48 0.833333
223 N6P 0.479592 0.915493
224 GGZ 0.479167 0.825
225 SAI 0.478261 0.734177
226 SAH 0.478261 0.74359
227 NDP 0.477477 0.921053
228 NPW 0.477477 0.886076
229 AAM 0.476744 0.971429
230 C2R 0.47561 0.90411
231 AMZ 0.47561 0.916667
232 A A A 0.474747 0.905405
233 GTP 0.473684 0.92
234 SMM 0.473684 0.686047
235 TXP 0.473214 0.921053
236 NZQ 0.473214 0.909091
237 A3S 0.47191 0.810811
238 AMP NAD 0.470588 0.881579
239 SFD 0.46875 0.734043
240 AIR 0.468354 0.901408
241 EEM 0.468085 0.690476
242 AAT 0.468085 0.707317
243 J7V 0.466667 0.833333
244 Z5A 0.466667 0.77907
245 FAY 0.462121 0.8625
246 ETB 0.461538 0.833333
247 A3T 0.461538 0.821918
248 DCA 0.461538 0.823529
249 A6D 0.46 0.722892
250 A U 0.459459 0.87013
251 6K6 0.459184 0.930556
252 GEK 0.459184 0.7375
253 RFL 0.458647 0.821429
254 NAP 0.458333 0.945205
255 S7M 0.458333 0.690476
256 WSA 0.454545 0.788235
257 TAP 0.454545 0.907895
258 FNK 0.454545 0.804598
259 COA 0.453782 0.823529
260 101 0.453488 0.878378
261 NA0 0.45082 0.932432
262 PA7 0.449438 0.708861
263 7RP 0.448276 0.928571
264 GP3 0.446809 0.921053
265 TM1 0.446602 0.77381
266 APU 0.446429 0.894737
267 PUA 0.445378 0.884615
268 V1N 0.443396 0.917808
269 7RA 0.443182 0.957747
270 AMX 0.442623 0.833333
271 COS 0.442623 0.804598
272 CAO 0.442623 0.795455
273 30N 0.442623 0.752688
274 QQY 0.44186 0.815789
275 ACK 0.44186 0.861111
276 0UM 0.44 0.698795
277 NHD 0.439655 0.905405
278 SCO 0.439024 0.823529
279 CMX 0.439024 0.823529
280 GCP 0.438776 0.896104
281 8BR 0.438202 0.906667
282 3AD 0.4375 0.805556
283 GNH 0.4375 0.907895
284 FAM 0.435484 0.804598
285 FCX 0.435484 0.795455
286 ACO 0.435484 0.795455
287 GNP 0.434343 0.896104
288 NMX 0.433071 0.76087
289 MGP 0.43299 0.884615
290 PLP AAD 0.432203 0.741573
291 26A 0.432099 0.763158
292 HAX 0.432 0.804598
293 K15 0.431373 0.682353
294 1DG 0.430894 0.921053
295 DG1 0.430894 0.921053
296 QQX 0.430233 0.805195
297 2VA 0.430108 0.8
298 2MC 0.429688 0.769231
299 FYN 0.428571 0.823529
300 P5F 0.428571 0.823529
301 U G A 0.427481 0.839506
302 RMB 0.426966 0.873239
303 FAI 0.426966 0.916667
304 1RB 0.425287 0.885714
305 SOP 0.425197 0.804598
306 OXK 0.425197 0.804598
307 COK 0.425197 0.804598
308 MCD 0.425197 0.804598
309 CA6 0.425197 0.729167
310 G1R 0.424242 0.907895
311 CC5 0.423077 0.816901
312 NOS 0.423077 0.791667
313 F2N 0.422535 0.813953
314 ANZ 0.422018 0.8
315 CMC 0.421875 0.804598
316 CO6 0.421875 0.804598
317 1VU 0.421875 0.795455
318 GDC 0.420561 0.884615
319 GDD 0.420561 0.884615
320 GKE 0.420561 0.884615
321 NFD 0.420168 0.883117
322 GSP 0.42 0.873418
323 D3Y 0.42 0.789474
324 MC4 0.419847 0.76087
325 3L1 0.419753 0.773333
326 3D1 0.419753 0.773333
327 FA9 0.41958 0.864198
328 G 0.419355 0.906667
329 5GP 0.419355 0.906667
330 SCD 0.418605 0.823529
331 CAJ 0.418605 0.804598
332 CMP 0.417582 0.901408
333 2BA 0.417582 0.915493
334 N01 0.416667 0.905405
335 MLC 0.415385 0.804598
336 3HC 0.415385 0.813953
337 1HE 0.415385 0.786517
338 NMN AMP PO4 0.415254 0.87013
339 2FA 0.414634 0.813333
340 MGO 0.414141 0.860759
341 3NZ 0.413462 0.782051
342 YE1 0.412214 0.813953
343 MCA 0.412214 0.795455
344 CAA 0.412214 0.813953
345 GAV 0.411765 0.884615
346 JLN 0.411111 0.890411
347 P2P 0.411111 0.902778
348 ZZB 0.410256 0.77381
349 CNV FAD 0.410072 0.793103
350 2CP 0.409091 0.795455
351 103 0.409091 0.837838
352 SCA 0.409091 0.804598
353 RP1 0.409091 0.842105
354 SP1 0.409091 0.842105
355 PAX 0.408 0.829268
356 FAD NBT 0.407143 0.75
357 NVA 2AD 0.40625 0.74359
358 IRC 0.406015 0.813953
359 3CP 0.406015 0.804598
360 COW 0.406015 0.795455
361 HGG 0.406015 0.804598
362 BYC 0.406015 0.804598
363 2KQ 0.406015 0.786517
364 COF 0.406015 0.786517
365 CA8 0.406015 0.729167
366 1GZ 0.406015 0.795455
367 G2P 0.405941 0.884615
368 SLU 0.404959 0.770115
369 RBZ 0.404494 0.849315
370 1CZ 0.404412 0.795455
371 FAQ 0.402985 0.804598
372 4CA 0.402985 0.795455
373 BCA 0.402985 0.795455
374 MTP 0.402439 0.730769
375 8OD 0.402062 0.945205
376 CO7 0.401515 0.804598
377 DAL FAD PER 0.401408 0.809524
378 GMV 0.4 0.896104
379 HXC 0.4 0.786517
380 ENQ 0.4 0.916667
381 G2R 0.4 0.884615
382 GRA 0.4 0.804598
Similar Binding Sites
Pocket no: 1; Query (leader) PDB : 2BUP; Ligand: ADP; Similar sites found: 207
This union binding pocket (no: 1) in the query (biounit: 2bup.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 2BUP ADP 4.228e-17 1
2 3ATV ADP 6.661e-16 0.92801
3 3LDP 3P1 4.463e-14 0.87218
4 2QWO ADP 3.986e-14 0.85552
5 3I33 ADP 7.772e-15 0.82133
6 3QFU ADP 6.617e-14 0.76831
7 3GDQ ADP 9.959e-14 0.76291
8 3FE1 ADP 1.263e-13 0.75974
9 2V7Y ADP 1.424e-13 0.75716
10 4GNI ATP 6.02e-11 0.68664
11 4JNE ATP 2.526e-10 0.67213
12 4CZG QH3 1.716e-08 0.66086
13 2PBD ATP 3.886e-09 0.65253
14 3LDQ 3P1 5.032e-10 0.64594
15 1KXP ATP 1.067e-08 0.64475
16 2V51 ATP 6.411e-09 0.64349
17 2PAV ATP 7.005e-09 0.64215
18 3MN5 ATP 7.192e-09 0.64168
19 2V52 ATP 7.201e-09 0.64147
20 4CBX ATP 7.267e-09 0.64141
21 4H03 ATP 4.877e-08 0.64078
22 4B1V ATP 3.883e-08 0.64046
23 1YAG ATP 7.739e-09 0.64041
24 2A42 ATP 7.757e-09 0.64036
25 2A3Z ATP 9.397e-09 0.63686
26 4B1X ATP 9.734e-09 0.63603
27 2FXU ATP 4.999e-08 0.63565
28 3MN9 ATP 1.016e-08 0.63558
29 4PKG ATP 1.117e-08 0.63395
30 3SJH ATP 7.999e-08 0.63127
31 4B1Y ATP 1.456e-08 0.62892
32 2QXL ATP 4.582e-09 0.62788
33 4CBU ATP 1.848e-08 0.62481
34 2FF6 ATP 1.638e-08 0.61606
35 2A40 ATP 1.866e-08 0.61457
36 4PKI ATP 2.087e-08 0.61224
37 3MN7 ATP 2.079e-08 0.61207
38 4PL8 ATP 2.354e-08 0.61071
39 2YCH ATP 4.421e-08 0.60972
40 2FF3 ATP 1.298e-08 0.60941
41 3MN6 ATP 3.445e-08 0.60399
42 4PL7 ATP 3.366e-08 0.60383
43 2Q97 ATP 5.983e-08 0.60333
44 3WQT ANP 4.627e-08 0.60051
45 1T44 ATP 2.253e-08 0.59973
46 4EFH ADP 1.683e-08 0.59417
47 1SQK ADP 2.124e-08 0.59211
48 3U4L ATP 1.269e-07 0.59017
49 3U9Z ADP 5.525e-08 0.57795
50 2D1K ATP 9.187e-08 0.5756
51 2ZGY GDP 8.509e-07 0.54236
52 4EHU ANP 1.885e-06 0.53532
53 4A62 ANP 5.691e-06 0.52944
54 4A2B AGS 2.743e-05 0.49519
55 3ZEU AGS 3.274e-05 0.49138
56 4A2A ATP 3.05e-05 0.48768
57 2D0O ADP 7.407e-06 0.48372
58 3ZEU ADP 6.762e-05 0.46667
59 2IVN ANP 0.0003209 0.45752
60 4BR5 ANP 0.0008546 0.45147
61 4NB4 ADP 0.00104 0.4377
62 3FGU ANP 0.001803 0.4357
63 2UYT ADP 0.001696 0.43533
64 4NB4 SH3 0.002875 0.43097
65 3VET ADP 0.009762 0.42637
66 3ZET AMP 0.0001747 0.42503
67 1U72 MTX 0.009695 0.41995
68 4MO4 ACP 0.007574 0.41465
69 3VGL ANP 0.02994 0.41294
70 4HA6 FAD 0.01084 0.41198
71 3RG9 NDP 0.01086 0.41091
72 3BF1 PAU 0.004863 0.40726
73 1NAA 6FA 0.01834 0.40619
74 3AAQ ARU 0.009772 0.40476
75 1D4D FAD 0.02295 0.39987
76 1DJL NAP 0.01275 0.39963
77 2E2P ADP 0.002817 0.39871
78 3QVP FAD 0.02432 0.3978
79 4BGB ADP 0.001835 0.39738
80 4EIL NDP 0.02239 0.39656
81 4DRX GTP 0.01216 0.39349
82 3EEL 53T 0.02913 0.39324
83 2OFV 242 0.02324 0.39269
84 1D4O NAP 0.01293 0.39233
85 3CTY FAD 0.03026 0.39056
86 3AYI FAD 0.04752 0.38994
87 1ON3 MCA 0.00906 0.38949
88 3TTC ADP 0.03366 0.3894
89 2OOR TXP 0.0468 0.38872
90 2R4J 13P 0.04888 0.3886
91 4J56 FAD 0.04394 0.38758
92 2FZH DH1 0.04405 0.38753
93 3RYC GTP 0.01732 0.38683
94 3RYC GTP 0.01749 0.38665
95 1GPE FAD 0.04462 0.38641
96 2F5Z FAD 0.04192 0.3859
97 4LNU GTP 0.01572 0.38548
98 1RQ2 CIT 0.01253 0.38463
99 2BL9 CP6 0.03877 0.38462
100 1AOE GW3 0.04733 0.38434
101 4O8A FAD 0.03207 0.38298
102 1TLL FMN 0.01649 0.38291
103 3VC3 C6P 0.01708 0.38226
104 2QV7 ADP 0.008247 0.37834
105 3IA4 NDP 0.03375 0.37831
106 4GLL NAD 0.03857 0.3782
107 1YQD NAP 0.03872 0.37812
108 1NVM NAD 0.03053 0.37755
109 4B7S QLE 0.03573 0.3759
110 2VAP GDP 0.02935 0.37383
111 3ABI NAD 0.04636 0.3734
112 1QPG MAP 0.0328 0.37328
113 1VQW FAD 0.04762 0.37164
114 3RIY NAD 0.04427 0.37043
115 3TWO NDP 0.04855 0.36999
116 2OHH FMN 0.03696 0.36949
117 3CB2 GDP 0.01776 0.36809
118 1L3I SAH 0.03989 0.36806
119 1RRM APR 0.0359 0.36467
120 1EJ0 SAM 0.03036 0.36383
121 4M20 COA 0.03296 0.36286
122 1MDB AMP 0.04283 0.36261
123 2IU8 PLM 0.03697 0.36128
124 4BNU 9KQ 0.0453 0.36118
125 4JEM C5P 0.03598 0.36067
126 3LKZ SFG 0.03562 0.36039
127 2W41 ADP 0.002321 0.36039
128 4A3U FMN 0.03972 0.36033
129 3ZLQ 6T9 0.03929 0.3599
130 3ZBQ GDP 0.03203 0.35959
131 1HE1 GDP 0.03969 0.35949
132 3PT9 SAH 0.0382 0.35923
133 3EXH TPP 0.04679 0.35784
134 4B1X LAB 0.005287 0.35696
135 1TUU AMP 0.03005 0.35678
136 4B1Y LAB 0.005385 0.35655
137 4B1W LAB 0.008628 0.3561
138 1TUU ADP 0.04114 0.35578
139 1XKD NAP 0.04592 0.35456
140 3G2O SAM 0.0438 0.354
141 3MN5 LAB 0.004477 0.35399
142 3QF7 ANP 0.03508 0.35294
143 1G4U GDP 0.02295 0.35283
144 4OHB 5HM 0.02551 0.35258
145 4CDN FO1 0.03551 0.35179
146 1SQK LAR 0.0145 0.35087
147 3MQ2 SAH 0.03776 0.35083
148 2QZX IVA 0.03401 0.34667
149 1XDY MTE 0.03029 0.34447
150 1LOB MMA 0.04265 0.3443
151 2YVK MRU 0.04663 0.34396
152 4LPS GDP 0.01963 0.34334
153 4HVC ANP 0.04319 0.34323
154 3B0P FMN 0.0465 0.34187
155 1X9I G6Q 0.02711 0.34163
156 1YRB GDP 0.04944 0.34011
157 2POC UD1 0.03921 0.33858
158 1OHE ACE 0.01972 0.33835
159 2OCI TYC 0.01299 0.33697
160 4CYZ SIA 0.02056 0.33554
161 3VYK MMA 0.01888 0.33393
162 3KIF GDL 0.03446 0.33362
163 3K8X B89 0.00399 0.33339
164 1P77 ATR 0.04646 0.33269
165 2IYF UDP 0.04653 0.33177
166 4M44 SIA 0.02526 0.33141
167 1P6O HPY 0.01308 0.33081
168 2F6U CIT 0.03348 0.32996
169 1XMY ROL 0.03669 0.32961
170 2CI5 HCS 0.03452 0.3288
171 2BTM PGA 0.04556 0.32692
172 1Q8S MAN 0.02572 0.32628
173 2BVL GLC 0.03485 0.32537
174 2XZ9 PYR 0.04973 0.32533
175 2GND MAN 0.03141 0.32457
176 2YJP CYS 0.02339 0.32442
177 1TMX BEZ 0.04763 0.32403
178 3MWE TLA 0.04488 0.32327
179 1Q8P MAN 0.03354 0.32322
180 3AQT RCO 0.01389 0.32309
181 1Y75 NAG 0.04957 0.32307
182 4L80 OXL 0.02481 0.3224
183 1IXI 2HP 0.02775 0.3223
184 2GMM MAN 0.01981 0.32117
185 2GMP NAG 0.04634 0.32076
186 2WR9 MAN 0.04655 0.32041
187 2DC1 CIT 0.03141 0.32024
188 1Q8Q MAN 0.03861 0.31904
189 2GJP MAL 0.007728 0.31867
190 2WN2 A2G 0.03609 0.31725
191 4DBH OXL 0.04224 0.31671
192 1JXN MFU 0.03089 0.31646
193 2VVG ADP 0.03418 0.31605
194 4O48 ASP 0.04687 0.31316
195 2Q2R ADP 0.01688 0.31092
196 2J0B UDP 0.04641 0.30949
197 1G51 AMP 0.04677 0.30838
198 3PFF TLA 0.04593 0.30471
199 4V3I ASP 0.04018 0.30307
200 2GNB MAN 0.03698 0.30064
201 1XXR MAN 0.04362 0.29969
202 3II1 BGC 0.02463 0.2995
203 3WCZ CIT 0.01537 0.29683
204 3WMX THR 0.04917 0.29679
205 3TDC 0EU 0.03348 0.2926
206 3RV5 DXC 0.04868 0.28917
207 3SXU ASP 0.03349 0.28875
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