Receptor
PDB id Resolution Class Description Source Keywords
1CS4 2.5 Å EC: 4.6.1.1 COMPLEX OF GS-ALPHA WITH THE CATALYTIC DOMAINS OF MAMMALIAN ADENYLYL CYCLASE: COMPLEX WITH 2'-DEOXY-ADENOSINE 3'- M ONOPHOSPHATE, PYROPHOSPHATE AND MG CANIS LUPUS FAMILIARIS COMPLEX (LYASE/HYDROLASE) HYDROLASE SIGNAL TRANSDUCING PROTEIN CYCLASE EFFECTOR ENZYME LYASE/HYDROLASE COMPLEXLYASE/LYASE/SIGNALING PROTEIN COMPLEX
Ref.: MOLECULAR BASIS FOR P-SITE INHIBITION OF ADENYLYL CYCLASE. BIOCHEMISTRY V. 39 14464 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
101 B:1082;
 Valid;
 none;
 ic50 = 2.7 uM
331.222 C10 H14 N5 O6 P c1nc(...
CL C:398;
 Invalid;
 none;
 submit data
35.453 Cl [Cl-]
FOK A:1002;
 Valid;
 none;
 submit data
410.501 C22 H34 O7 CC(=O...
GSP C:1000;
 Valid;
 none;
 submit data
539.246 C10 H16 N5 O13 P3 S c1nc2...
MES A:1003;
B:1083;
 Invalid;
Invalid;
 none;
none;
 submit data
195.237 C6 H13 N O4 S C1COC...
MG A:581;
C:396;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
POP A:1005;
 Invalid;
 none;
 submit data
175.959 H2 O7 P2 O[P@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CS4 2.5 Å EC: 4.6.1.1 COMPLEX OF GS-ALPHA WITH THE CATALYTIC DOMAINS OF MAMMALIAN ADENYLYL CYCLASE: COMPLEX WITH 2'-DEOXY-ADENOSINE 3'- M ONOPHOSPHATE, PYROPHOSPHATE AND MG CANIS LUPUS FAMILIARIS COMPLEX (LYASE/HYDROLASE) HYDROLASE SIGNAL TRANSDUCING PROTEIN CYCLASE EFFECTOR ENZYME LYASE/HYDROLASE COMPLEXLYASE/LYASE/SIGNALING PROTEIN COMPLEX
Ref.: MOLECULAR BASIS FOR P-SITE INHIBITION OF ADENYLYL CYCLASE. BIOCHEMISTRY V. 39 14464 2000
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1CS4 ic50 = 2.7 uM 101 C10 H14 N5 O6 P c1nc(c2c(n....
2 1AZS - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
3 1CUL - 3PO H5 O10 P3 OP(=O)(O)O....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 1CS4 ic50 = 2.7 uM 101 C10 H14 N5 O6 P c1nc(c2c(n....
2 1AZS - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
3 1CUL - 3PO H5 O10 P3 OP(=O)(O)O....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 1CS4 ic50 = 2.7 uM 101 C10 H14 N5 O6 P c1nc(c2c(n....
2 1AZS - GSP C10 H16 N5 O13 P3 S c1nc2c(n1[....
3 1CUL - 3PO H5 O10 P3 OP(=O)(O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 101; Similar ligands found: 107
No: Ligand ECFP6 Tc MDL keys Tc
1 101 1 1
2 103 0.7 0.875
3 3D1 0.617647 0.833333
4 3L1 0.617647 0.833333
5 DA 0.613333 0.943662
6 D5M 0.613333 0.943662
7 DAT 0.580247 0.917808
8 ZDA 0.566265 0.851351
9 AS 0.564103 0.893333
10 5F1 0.555556 0.767123
11 DTP 0.552941 0.917808
12 2AM 0.539474 0.902778
13 3AM 0.532468 0.942857
14 7D5 0.506494 0.916667
15 OVE 0.5 0.866667
16 A3P 0.493976 0.902778
17 A2P 0.493976 0.888889
18 A 0.4875 0.902778
19 AMP 0.4875 0.902778
20 CPA 0.485714 0.860759
21 DDS 0.483146 0.890411
22 7D7 0.472222 0.802817
23 DA DT DA DA 0.470085 0.82716
24 ABM 0.46988 0.853333
25 RAB 0.465753 0.780822
26 XYA 0.465753 0.780822
27 ADN 0.465753 0.780822
28 7D3 0.464286 0.891892
29 PPS 0.461538 0.792683
30 PAP 0.460674 0.890411
31 ATR 0.460674 0.876712
32 A12 0.458824 0.868421
33 AP2 0.458824 0.868421
34 ADP 0.453488 0.878378
35 A2D 0.452381 0.853333
36 APC 0.449438 0.868421
37 SON 0.448276 0.868421
38 3AD 0.447368 0.791667
39 5CD 0.447368 0.743243
40 SRA 0.445783 0.855263
41 7D4 0.443182 0.891892
42 ADX 0.443182 0.771084
43 BA3 0.44186 0.853333
44 AMP MG 0.440476 0.828947
45 ATP 0.438202 0.878378
46 AP5 0.436782 0.853333
47 B4P 0.436782 0.853333
48 3AT 0.434783 0.878378
49 5N5 0.434211 0.756757
50 AQP 0.433333 0.878378
51 5FA 0.433333 0.878378
52 2A5 0.433333 0.905405
53 AN2 0.431818 0.866667
54 A2R 0.431579 0.866667
55 SAP 0.428571 0.833333
56 A4D 0.428571 0.756757
57 RBY 0.428571 0.844156
58 ADV 0.428571 0.844156
59 AGS 0.428571 0.833333
60 A22 0.427083 0.866667
61 AU1 0.426966 0.855263
62 M33 0.426966 0.842105
63 CA0 0.426966 0.831169
64 ADS THS THS THS 0.426087 0.776471
65 AV2 0.425532 0.828947
66 NA7 0.424242 0.893333
67 ARJ 0.423077 0.736111
68 50T 0.422222 0.866667
69 ACP 0.422222 0.855263
70 NOC 0.421053 0.726027
71 MTA 0.419753 0.714286
72 TAT 0.419355 0.844156
73 V3L 0.419355 0.878378
74 ACQ 0.419355 0.855263
75 MDR 0.417722 0.780822
76 PRX 0.417582 0.855263
77 AR6 0.417582 0.853333
78 APR 0.417582 0.853333
79 QQY 0.416667 0.826667
80 ACK 0.416667 0.873239
81 DG DA DC DG 0.413534 0.819277
82 ADP PO3 0.413043 0.851351
83 AD9 0.413043 0.855263
84 EP4 0.4125 0.696203
85 MAP 0.412371 0.833333
86 ADP MG 0.411111 0.818182
87 ALF ADP 0.410526 0.7875
88 ADP ALF 0.410526 0.7875
89 DA DC DG DA 0.410448 0.819277
90 ATP MG 0.408602 0.818182
91 25A 0.408163 0.878378
92 DTA 0.407407 0.75
93 M2T 0.407407 0.679012
94 A3G 0.406977 0.763158
95 ADP BEF 0.406593 0.797468
96 BEF ADP 0.406593 0.797468
97 5X8 0.406593 0.727273
98 QQX 0.404762 0.815789
99 DOI 0.404494 0.864865
100 ANP 0.404255 0.855263
101 A1R 0.40404 0.894737
102 ADQ 0.40404 0.855263
103 FYA 0.401961 0.891892
104 DLL 0.4 0.842105
105 5AL 0.4 0.842105
106 5AD 0.4 0.708333
107 ZAS 0.4 0.730769
Ligand no: 2; Ligand: FOK; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 FOK 1 1
2 FKP 0.635417 0.677419
Ligand no: 3; Ligand: GSP; Similar ligands found: 132
No: Ligand ECFP6 Tc MDL keys Tc
1 GSP 1 1
2 GP3 0.897436 0.925
3 GTP 0.853659 0.948718
4 GNH 0.829268 0.936709
5 GDP 0.817073 0.948718
6 G1R 0.8 0.936709
7 GCP 0.77907 0.925
8 GNP 0.770115 0.925
9 GMV 0.767442 0.925
10 5GP 0.756098 0.935897
11 G 0.756098 0.935897
12 G2R 0.747253 0.91358
13 GKE 0.744681 0.91358
14 GDD 0.744681 0.91358
15 GDC 0.744681 0.91358
16 GPG 0.73913 0.91358
17 GTG 0.736842 0.891566
18 G3A 0.729167 0.925
19 G5P 0.721649 0.925
20 GDR 0.71875 0.91358
21 GFB 0.71875 0.91358
22 GAV 0.714286 0.987179
23 GP2 0.712644 0.91358
24 6CK 0.71134 0.891566
25 Y9Z 0.708333 0.860465
26 JB2 0.69697 0.91358
27 GKD 0.69697 0.91358
28 GDP MG 0.696629 0.878049
29 G2P 0.692308 0.91358
30 GDX 0.69 0.925
31 GPD 0.69 0.880952
32 GDP BEF 0.688889 0.857143
33 GCP G 0.677419 0.888889
34 ALF 5GP 0.67033 0.847059
35 0O2 0.666667 0.935897
36 GTP MG 0.666667 0.878049
37 BEF GDP 0.666667 0.847059
38 YGP 0.663265 0.858824
39 JB3 0.657143 0.902439
40 GDP ALF 0.645833 0.847059
41 GDP AF3 0.645833 0.847059
42 G G 0.642857 0.888889
43 GMP 0.641975 0.835443
44 G3D 0.638298 0.935897
45 NGD 0.635514 0.91358
46 2MD 0.633027 0.894118
47 CAG 0.630631 0.840909
48 G4P 0.625 0.935897
49 U2G 0.62037 0.891566
50 FEG 0.62037 0.83908
51 MGD 0.616071 0.894118
52 ZGP 0.614679 0.872093
53 CG2 0.609091 0.891566
54 TPG 0.598291 0.804348
55 3GP 0.595506 0.898734
56 GDP 7MG 0.590476 0.86747
57 GH3 0.581633 0.924051
58 MD1 0.581197 0.894118
59 PGD 0.581197 0.926829
60 2GP 0.577778 0.911392
61 DGT 0.561224 0.878049
62 DBG 0.558333 0.902439
63 G1G 0.550847 0.880952
64 SAP 0.547368 0.924051
65 AGS 0.547368 0.924051
66 FE9 0.546219 0.8
67 G4M 0.539062 0.840909
68 U A G G 0.538462 0.888889
69 G A A A 0.529915 0.878049
70 MGP 0.525253 0.91358
71 GPX 0.524272 0.898734
72 BGO 0.521739 0.879518
73 DGI 0.520408 0.878049
74 6G0 0.52 0.91358
75 I2C FE2 CMO CMO 0.516667 0.774194
76 IDP 0.515464 0.923077
77 GGM 0.508475 0.858824
78 G1R G1R 0.508065 0.879518
79 PGD O 0.504 0.875
80 G G U 0.5 0.888889
81 GTA 0.486726 0.891566
82 P2G 0.484536 0.839506
83 GPC 0.483607 0.83908
84 G C 0.483333 0.857143
85 P1G 0.474747 0.829268
86 DG 0.474227 0.865854
87 DGP 0.474227 0.865854
88 BA3 0.46875 0.85
89 AP5 0.463918 0.85
90 B4P 0.463918 0.85
91 IMP 0.463918 0.910256
92 G2Q 0.462963 0.91358
93 G G G RPC 0.459016 0.833333
94 APC G U 0.456 0.843373
95 U G A 0.452555 0.847059
96 ATP 0.45 0.873418
97 G G G C 0.448819 0.869048
98 A2D 0.447917 0.85
99 5FA 0.445545 0.873418
100 AQP 0.445545 0.873418
101 A G C C 0.445312 0.86747
102 G7M 0.444444 0.901235
103 G U34 0.442623 0.847059
104 01G 0.442478 0.860465
105 ITT 0.44 0.825
106 SGP 0.44 0.876543
107 G C C C 0.431818 0.879518
108 AN2 0.43 0.8625
109 DG DG 0.428571 0.825581
110 A4P 0.42623 0.829545
111 UCG 0.424242 0.86747
112 C2E 0.423077 0.875
113 PCG 0.423077 0.886076
114 35G 0.423077 0.886076
115 MGO 0.420561 0.823529
116 ADP 0.42 0.873418
117 ANP 0.419048 0.851852
118 5GP 5GP 0.419048 0.839506
119 ADQ 0.418182 0.829268
120 APR 0.417476 0.85
121 AR6 0.417476 0.85
122 7DT 0.417476 0.860759
123 A G U 0.414286 0.847059
124 AD9 0.413462 0.851852
125 UP5 0.413223 0.831325
126 A22 0.412844 0.8625
127 25L 0.412281 0.8625
128 M33 0.411765 0.839506
129 JBT 0.410405 0.783505
130 ACP 0.407767 0.851852
131 ACQ 0.40566 0.851852
132 A1R 0.405405 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1CS4; Ligand: 101; Similar sites found: 4
This union binding pocket(no: 1) in the query (biounit: 1cs4.bio1) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2QV6 GTP 0.00001133 0.40951 3.11111
2 4BQS K2Q 0.04351 0.40805 7.95455
3 4LO2 GAL BGC 0.001741 0.47178 33.3333
4 4WP9 ZDA 0.0000000001533 0.64286 36.1582
Pocket No.: 2; Query (leader) PDB : 1CS4; Ligand: GSP; Similar sites found: 417
This union binding pocket(no: 2) in the query (biounit: 1cs4.bio1) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3MD0 GDP 0.000000005255 0.50419 2.25352
2 5JCP GDP ALF 0.00000001376 0.55277 3.30189
3 4D81 ADP 0.0002713 0.40049 3.53357
4 4B47 GDP 0.0000000001862 0.54099 3.55556
5 2B8W ALF 5GP 0.000004638 0.49825 3.55556
6 1NN5 ANP 0.003952 0.4053 3.72093
7 3PA8 621 0.0296 0.40726 3.77358
8 2RGX AP5 0.009709 0.40078 3.8835
9 1PUJ GNP 0.0000000004332 0.58093 3.90071
10 1RYH GNP 0.000000009681 0.54084 3.94089
11 4RD0 GDP 0.00000000007983 0.65512 4
12 1WF3 GNP 0.000000007164 0.61746 4
13 4V03 ADP 0.00002057 0.42694 4
14 4KVA GTP 0.002092 0.42615 4.31472
15 1IWE IMP 0.0003706 0.49607 4.44444
16 3ZFD ANP 0.0000005539 0.48039 4.44444
17 5L3V GDP 0.00001527 0.43825 4.44444
18 3FKQ ATP 0.00016 0.41488 4.44444
19 4RZ3 ADP 0.0004418 0.4044 4.44444
20 2CE7 ADP 0.0001431 0.40279 4.44444
21 5L3W GDP 0.0002296 0.40334 4.57516
22 2ZFI ADP 0.00004849 0.53858 4.71698
23 1D2E GDP 0.00000001847 0.53397 4.71698
24 3Q9L ATP 0.00006836 0.42691 4.71698
25 3QVV A3P 0.005726 0.40384 4.71698
26 1YRB GDP 0.00000004283 0.52767 4.88889
27 2DPY ADP 0.00114 0.48172 4.88889
28 2C9O ADP 0.0006269 0.40434 4.88889
29 1OS1 PYR 0.003699 0.40507 5.07614
30 1OS1 ATP 0.003654 0.40387 5.07614
31 1L2T ATP 0.001335 0.40567 5.10638
32 4X8O AP5 0.003647 0.4213 5.14019
33 1Z0A GDP 0.00000002573 0.5214 5.17241
34 3EC1 GDP 0.0000000598 0.50481 5.18868
35 5L3S GNP 0.00002036 0.47543 5.18868
36 2HF9 GSP 0.000000038 0.65485 5.33333
37 2C04 GCP 0.00004615 0.51446 5.33333
38 4DCT GDP 0.00000004174 0.5099 5.33333
39 5FJJ MAN 0.02487 0.42782 5.33333
40 1YTM ATP 0.0003342 0.41555 5.33333
41 1GWN GTP 0.000000001161 0.60934 5.36585
42 1Y63 ADP 0.000009464 0.42061 5.43478
43 2CBZ ATP 0.000005547 0.62689 5.48523
44 1P9B GDP 0.00003493 0.43907 5.66038
45 2BIF SIN 0.005103 0.41331 5.66038
46 2BIF ANP 0.002894 0.41331 5.66038
47 1U2Z SAH 0.001563 0.40661 5.66038
48 1E96 GTP 0.00000000596 0.61589 5.72917
49 5VGR GDP 0.0002172 0.41134 5.77778
50 4NE2 SH2 0.00586 0.40457 5.77778
51 4NE2 ADP 0.005209 0.40431 5.77778
52 1IN4 ADP 0.0005921 0.4007 5.77778
53 2BCG GDP 0.0000004374 0.51112 5.82524
54 3CPJ GDP 0.0000001831 0.51018 5.8296
55 2WJG GDP 0.000000001059 0.77083 5.85106
56 1MH1 GNP 0.000000002465 0.63634 5.91398
57 1M7B GTP 0.000000001864 0.69558 5.97826
58 4DKX GDP 0.000000003584 0.74444 6.01852
59 4NON GDP 0.000001298 0.53698 6.13208
60 5CK5 GDP 0.00000007512 0.483 6.13208
61 1RJ9 GCP 0.00009703 0.4845 6.22222
62 1X6V ADP 0.000934 0.42712 6.22222
63 2IYL GDP 0.00002083 0.41822 6.22222
64 3BOS CDP 0.0000336 0.40712 6.22222
65 3MBI HSX 0.02966 0.40318 6.22222
66 1VG8 GNP 0.00000000013 0.68484 6.28019
67 3W5J GDP 0.00000003738 0.44255 6.37255
68 4NU0 AP5 0.004638 0.40982 6.45161
69 1YZN GNP 0.000000001182 0.64872 6.48649
70 1YVD GNP 0.000000002616 0.62888 6.50888
71 2G77 GDP 0.000000003325 0.56979 6.56566
72 2G77 AF3 0.0000001093 0.43947 6.56566
73 4ZNL BEF ADP 0.00007845 0.40026 6.56934
74 1KY3 GDP 0.0000001551 0.51002 6.59341
75 5IRR GSP 0.00000009177 0.54605 6.60377
76 1G4U GDP 0.000001219 0.49776 6.60377
77 1FP6 ADP 0.000115 0.41095 6.60377
78 3DC4 ADP 0.00001328 0.40486 6.60377
79 4LPS GDP 0.000001025 0.4611 6.61157
80 2WJH GDP 0.0000000009766 0.55249 6.62651
81 2WJH FLC 0.0000001954 0.49096 6.62651
82 4Q1A 2XZ 0.01886 0.43103 6.66667
83 4Q1A UDP 0.01886 0.43103 6.66667
84 5JCZ GDP 0.00000006174 0.53923 6.70391
85 2OFW ADX 0.001178 0.4352 6.73077
86 4LX0 BEF GDP 0.0000000005008 0.66271 6.77966
87 5M04 GDP 0.0000000006803 0.52959 6.85279
88 1JWY GDP 0.0000001553 0.50246 6.85279
89 1JWY ADP 0.00007169 0.40314 6.85279
90 3NKV GNP 0.000000002411 0.62989 6.85714
91 2QZ4 ADP 0.0001266 0.40517 6.87023
92 1ZIN AP5 0.007396 0.40367 6.91244
93 2BEK ATP 0.001224 0.43334 7.00389
94 5K5Z ANP 0.00007171 0.4551 7.00637
95 3RWO GDP 0.00000002437 0.59142 7.02703
96 1VG1 GDP 0.00000001249 0.52167 7.02703
97 2F9L GDP 0.0000001373 0.55013 7.03518
98 1H65 GDP 0.0002263 0.42877 7.03704
99 4ZG4 VO4 ADP 0.000005188 0.48887 7.07547
100 3TK1 GDP 0.00000002467 0.4853 7.07547
101 3ZQ6 ADP ALF 0.00003377 0.4765 7.07547
102 4XGU ADP 0.00006926 0.42917 7.07547
103 3TKL GTP 0.0000000009407 0.63724 7.11111
104 3SFV GDP 0.0000003337 0.524 7.11111
105 2FNA ADP 0.0001881 0.47256 7.11111
106 3VX3 ADP 0.0003797 0.41026 7.11111
107 2OZE AGS 0.0003996 0.40857 7.11111
108 2EFE GNH 0.0000005511 0.49614 7.18232
109 3E5H GNP 0.000000001 0.64472 7.30337
110 4IOK ADP 0.001018 0.42408 7.36041
111 4IOK XPO 0.0006638 0.41906 7.36041
112 4DSU GDP 0.00000001292 0.60858 7.40741
113 1V8K ANP 0.000001734 0.44717 7.54717
114 5J1J ANP 0.00007523 0.44696 7.54717
115 3ZGE ASP 0.01205 0.43274 7.54717
116 2QEN ADP 0.00004215 0.4308 7.54717
117 5IRN ADP 0.0001122 0.41119 7.54717
118 1WDT GTP 0.000000002222 0.70139 7.55556
119 1Z06 GNP 0.000000001133 0.63383 7.55556
120 1G7S GDP 0.0000000009988 0.54808 7.55556
121 1MKY GDP 0.000000001161 0.53573 7.55556
122 4OI4 ATP 0.0005305 0.41578 7.55556
123 1DAK DPU 0.001033 0.44094 7.58929
124 1DAK ADP 0.01543 0.41885 7.58929
125 3DEF GDP 0.00005335 0.42873 7.63359
126 1YZQ GNP 0.0000000002145 0.67654 7.64706
127 1Z08 GNP 0.000000009131 0.5946 7.64706
128 3RAB GNP 0.0000000003008 0.66333 7.69231
129 2PEZ GGZ 0.001498 0.4234 7.82123
130 2PEZ DAT 0.001498 0.4234 7.82123
131 3FB4 AP5 0.003434 0.41733 7.87037
132 1S8F GDP 0.000000009536 0.62022 7.9096
133 4BQS ADP 0.00009961 0.523 7.95455
134 4BQS K2Q 0.002823 0.41624 7.95455
135 2WIC GNP 0.00000000009417 0.57562 8
136 1VG0 GDP 0.0000001079 0.51476 8
137 1VG9 GDP 0.00000004005 0.50925 8
138 1QF5 GDP 0.00004256 0.50635 8
139 1QF5 RPL 0.007916 0.43829 8
140 2WOJ ADP ALF 0.0000252 0.48145 8.01887
141 4XTR ATP 0.00003578 0.45894 8.01887
142 4XVU ATP 0.00004216 0.45657 8.01887
143 4XTR ADP 0.00002616 0.4445 8.01887
144 4PFO ADP 0.0003578 0.43263 8.01887
145 2A9K GDP 0.00000003798 0.53693 8.02139
146 1D5C GDP 0.0000001283 0.52119 8.02469
147 2C5L GTP 0.0000000003899 0.66683 8.09249
148 5TAR GDP 0.00000005282 0.52332 8.10811
149 5TB5 GDP 0.000000033 0.52148 8.10811
150 2FJU GSP 0.000000002767 0.59877 8.12183
151 5KSZ GCP 0.00003808 0.42693 8.12183
152 3GJ5 GDP 0.000000004953 0.5378 8.1448
153 3GJ7 GDP 0.00000001174 0.5173 8.1448
154 3GJ4 GDP 0.00000001516 0.51499 8.1448
155 4K81 GTP 0.000000004432 0.6332 8.18713
156 5XCO GDP 0.0000001454 0.51381 8.18713
157 1SKQ GDP 0.00000000003826 0.55762 8.37563
158 1KAO GDP 0.000000007103 0.56143 8.38323
159 5UFQ GNP 0.00000004714 0.58043 8.43373
160 1CLU DBG 0.0000007642 0.56995 8.43373
161 3Q72 GNP 0.000000003273 0.51295 8.43373
162 4R98 GNH 0.00000001183 0.51666 8.44444
163 4IDN GNP 0.00003407 0.45413 8.44444
164 5H68 AGS 0.002778 0.41137 8.44444
165 3WXM GTP 0.0000000005477 0.65251 8.49057
166 3A1S GDP 0.000009976 0.43463 8.49057
167 1UJ2 C5P 0.0009786 0.42008 8.49057
168 1UJ2 ADP 0.002606 0.40379 8.49057
169 5G41 AP5 0.008571 0.40581 8.52018
170 3SBD GNP 0.000000002606 0.62845 8.55615
171 1UAD GNP 0.0000000005218 0.65414 8.57143
172 1SVI GDP 0.0000006021 0.46429 8.71795
173 2VB6 ADP BEF 0.000314 0.42487 8.72483
174 5WDR GNP 0.0000000001193 0.68654 8.77193
175 1DAR GDP 0.0000000009791 0.53842 8.88889
176 4H1V GNP 0.000005613 0.47096 8.88889
177 3E70 GDP 0.00002371 0.42565 8.88889
178 3MJH GTP 0.0000000003119 0.66244 8.92857
179 1Z2A GDP 0.00000005698 0.61601 8.92857
180 1U8Z GDP 0.00000005254 0.56442 8.92857
181 5KSP GDP 0.000007306 0.44438 8.94737
182 1OIX GDP 0.000000001175 0.64151 8.96226
183 1OIV GDP 0.00000007344 0.57332 8.96226
184 4WZA ACP 0.00008271 0.503 8.96226
185 4WZA ADP 0.00008271 0.503 8.96226
186 2Q2Y ADP 0.004105 0.41416 8.96226
187 2Q2Y MKR 0.004684 0.41074 8.96226
188 3FVQ ATP 0.0005637 0.40297 8.96226
189 4U5X GNP 0.00000005379 0.54169 8.98876
190 3KUD GDP 0.000000004398 0.58865 9.03614
191 5SZH GNP 0.0000000002527 0.67412 9.15033
192 5H56 TYD 0.004563 0.40147 9.23077
193 5H56 ADP 0.004563 0.40147 9.23077
194 3VMF GTP 0.0000000004108 0.65703 9.33333
195 3IO3 ADP 0.00003277 0.44136 9.33333
196 1GOJ ADP 0.000007342 0.61338 9.43396
197 2A5J GDP 0.00000006932 0.5129 9.43396
198 4E03 ADP 0.0000165 0.42852 9.70874
199 2CHG ANP 0.0002756 0.40757 9.73451
200 4TTQ ATP 0.00005067 0.40644 9.76744
201 3KJI ADP 0.0001972 0.41068 9.77778
202 1XKV ATP 0.0002278 0.40071 9.77778
203 3REF GDP 0.0000001938 0.5405 9.79381
204 1G7C 5GP 0.00000009495 0.48721 9.89848
205 2C77 GNP 0.000000000006596 0.67935 9.90566
206 2C78 GNP 0.00000000001712 0.67617 9.90566
207 3T34 GDP 0.000001984 0.50559 9.90566
208 3QOX SAH 0.0003205 0.43215 9.90566
209 2FFQ GSP 0.0000000001333 0.68468 9.94152
210 2EW1 GNP 0.00000000222 0.61631 9.95025
211 1ZUI SKM 0.0004042 0.45027 10.119
212 2FH5 GTP 0.0000000003882 0.62141 10.2222
213 1FNN ADP 0.0006316 0.40038 10.2222
214 5E95 GDP 0.0000002319 0.51489 10.3093
215 2ZEJ GDP 0.000002477 0.52014 10.3261
216 1W0J ADP 0.00006332 0.41743 10.3774
217 5FHD ADP ALF 0.0004147 0.40955 10.3774
218 5FTB ANP 0.0001125 0.40308 10.3774
219 1G8S MET 0.01083 0.4316 10.4348
220 2GJ8 ALF GDP 0.000000009822 0.61233 10.4651
221 5KUT GDP 0.000003725 0.4516 10.582
222 1R2Q GNP 0.000000000681 0.68055 10.5882
223 1G16 GDP 0.000001106 0.51165 10.5882
224 3WYA GDP 0.0000000003469 0.54639 10.5991
225 1D2N ANP 0.0006474 0.40443 10.6618
226 1WQ1 GDP 0.00000003921 0.56885 10.6667
227 1WQ1 AF3 0.00000003406 0.44126 10.6667
228 2WKQ GTP 0.000000006931 0.65442 10.8491
229 5FG3 GDP 0.000000001026 0.52604 10.8491
230 1KO8 6PG 0.0006119 0.40173 10.8571
231 2CJW GDP 0.00000001222 0.50975 10.9375
232 3DDC GNP 0.0000000003546 0.66851 11.0429
233 2XTN GTP 0.00003243 0.46487 11.1111
234 3FWY ADP 0.00004704 0.43266 11.1465
235 4C4P GNP 0.000000001022 0.65097 11.215
236 3GJX GTP 0.0000000002074 0.67757 11.3208
237 5I0H ADP BEF 0.000002146 0.48831 11.3208
238 3TNF GNP 0.0000000004921 0.67043 11.4943
239 4OHY ANP 0.0002268 0.43602 11.5556
240 1M2O GNP 0.0000000002964 0.66192 11.5789
241 1LVG ADP 0.000004781 0.41015 11.6162
242 3BC1 GNP 0.0000000007306 0.64901 11.8644
243 3GJ8 GDP 0.000000004303 0.72892 11.9565
244 4MKF AP5 0.00461 0.41313 11.9816
245 4P4T GDP 0.000003652 0.47664 12
246 4LC1 GDP 0.0000002929 0.47441 12
247 2V7Q ATP 0.00005426 0.41265 12
248 1I4D GDP 0.000001026 0.45875 12.0536
249 4HI0 GDP 0.0000001879 0.52666 12.0603
250 4LHW GNP 0.000000005099 0.61834 12.069
251 2HT6 GDP 0.0000000005645 0.52898 12.069
252 1EK0 GNP 0.0000000006372 0.65089 12.3529
253 4MKG AP5 0.004371 0.41304 12.4424
254 5JBQ GDP 0.0000000007982 0.54141 12.6904
255 4P3Y GDP 0.0000000003133 0.54007 12.6904
256 3U6B GDP 0.0000000003879 0.53836 12.6904
257 4G5G GDP 0.000000001177 0.53772 12.6904
258 3U6K GDP 0.000000003678 0.5279 12.6904
259 4PC3 GDP 0.00000006476 0.51974 12.6904
260 2BVN GNP 0.0000000001475 0.60388 12.7226
261 1D8T GDP 0.000000001562 0.53501 12.7226
262 1G3Q ADP 0.00000914 0.43012 12.7358
263 1SVM ATP 0.007737 0.40944 12.7358
264 2VOH CIT 0.01103 0.43245 12.7389
265 5I34 GDP 0.000006527 0.44049 12.8889
266 1MO9 FAD 0.03114 0.40167 12.8889
267 1S3G AP5 0.005236 0.40982 12.9032
268 4DID GDP 0.0000007796 0.47418 12.9534
269 1A4R GDP 0.0000004276 0.51449 13.089
270 1GRN GDP 0.000000485 0.50599 13.089
271 1A4R GNH 0.0000005805 0.50575 13.089
272 2NGR GDP 0.0000001023 0.50512 13.089
273 2NGR AF3 0.00000002729 0.47855 13.089
274 4ITR GDP 0.00000485 0.47572 13.089
275 1GRN AF3 0.0000003345 0.45117 13.089
276 2HCJ GDP 0.0000000008683 0.53215 13.1343
277 2WMO GTP 0.00000001149 0.53983 13.1579
278 3WYG GTP 0.0000000001099 0.69583 13.2075
279 3WYF GTP 0.0000000001821 0.68727 13.2075
280 3M1I GTP 0.0000000001384 0.68408 13.2075
281 5N69 ADP 0.00008492 0.41242 13.2075
282 3T5G GDP 0.00000004639 0.51702 13.2597
283 1Z0F GDP 0.00000004163 0.50701 13.4078
284 4ZKD GDP 0.0000000005162 0.66142 13.4518
285 1X1R GDP 0.00000008607 0.57716 13.4831
286 1Z0J GTP 0.000000002724 0.63472 13.5593
287 1XTQ GDP 0.000000009278 0.59252 13.5593
288 5O2T GSP 0.000000001058 0.65043 13.6792
289 5GOE GDP 0.0000000252 0.52085 13.6792
290 4D0G GTP 0.000000008883 0.58569 13.7143
291 4HDO GNP 0.0000000004126 0.6661 13.7725
292 3X1Z GNP 0.0000000007939 0.66233 13.7725
293 4HDQ GNP 0.000000001871 0.64092 13.7725
294 2RCN GDP 0.000000009711 0.51126 13.7778
295 5HCN GCP 0.0000007344 0.48314 13.7931
296 4YC7 GNP 0.000000005873 0.59368 13.8122
297 1TU3 GNP 0.0000000006438 0.65087 13.9241
298 1HE1 AF3 0.000002915 0.61759 14.0741
299 1HE1 GDP 0.000001509 0.56857 14.0741
300 1KMQ GNP 0.000000001453 0.62278 14.1304
301 1W7J ADP BEF 0.0001098 0.41812 14.2222
302 4XOI GTP 0.000000002038 0.62549 14.4444
303 2W2X GSP 0.000000003521 0.59175 14.5161
304 1F5N GNP 0.00002198 0.49339 14.6667
305 2UZI GTP 0.0000000005579 0.65324 14.9123
306 4J0Q GDP 0.0000000002511 0.54055 14.9746
307 1KK8 BEF ADP 0.0001413 0.41536 15.0943
308 5UQW GDP 0.0000000632 0.56953 15.3439
309 3PQC GDP 0.00001164 0.44827 15.3846
310 3BFV ADP 0.00002795 0.40718 15.4982
311 5L3R GCP 0.000004687 0.49835 15.5556
312 1NVU GTP 0.0000000002434 0.67482 15.566
313 1NVV GNP 0.0000000002699 0.6731 15.566
314 1NF3 GNP 0.000000004128 0.62157 15.625
315 1LFD GNP 0.0000000002113 0.6692 16.092
316 2QN6 GDP 0.0000000003743 0.53886 16.129
317 2ZTS ADP 0.001257 0.44499 16.7331
318 1TQ4 GDP 0.0000008962 0.57846 17.3333
319 1IHU ADP 0.0001606 0.43549 17.4528
320 1IHU AF3 0.0001279 0.43356 17.4528
321 1F6B GDP 0.000000001096 0.54711 17.6768
322 1ZC3 GNP 0.0000000006572 0.65801 17.6991
323 1DS6 GDP 0.0000004713 0.47509 17.7778
324 4KVG GTP 0.000000001181 0.64138 17.8571
325 2NCD ADP 0.0000389 0.56463 17.9245
326 1KK1 GNP 0.0000000003333 0.54047 17.9245
327 1GUA GNP 0.000000000659 0.6583 17.9641
328 3ZS9 ADP ALF 0.00002035 0.48499 18.4211
329 2GCN GDP 0.0000006817 0.51932 18.9055
330 4M9Q GNP 0.000000000002201 0.70663 18.9427
331 2Y8E GNP 0.0000000001305 0.67597 18.9944
332 3T12 GDP ALF 0.000000000001093 0.71712 19.1919
333 3T1O GDP 0.0000000001535 0.57968 19.1919
334 2BME GNP 0.0000000002521 0.66599 19.3548
335 1OW3 GDP 0.0000003678 0.51108 19.6891
336 2GCO GNP 0.000000006014 0.56514 19.9005
337 3RLF ANP 0.001102 0.40413 20.283
338 3DOE GTP 0.000000000002478 0.71666 20.3125
339 5IRC GDP 0.0000008499 0.48538 20.4301
340 4TMZ GSP 0.0000000002811 0.64507 20.4444
341 4NCN GTP 0.0000000003392 0.64256 20.4444
342 4ZI2 GNP 0.000000000004659 0.69772 20.5263
343 3LXR GDP 0.000001839 0.59291 20.5405
344 5HPY GDP 0.0000002808 0.5146 20.5405
345 4D0N GDP 0.0000003019 0.47656 20.5405
346 2QG6 NMN 0.002585 0.40828 20.603
347 4GOJ GNP 0.000000000002408 0.70679 20.6349
348 1YZG GDP 0.00000000009633 0.57403 20.6704
349 4HAT GNP 0.00000000007922 0.70137 20.7547
350 1IBR GNP 0.0000000001073 0.68845 20.7547
351 3CH5 GDP 0.00000000438 0.53888 20.7547
352 5BXQ GDP 0.00000000694 0.5331 20.7547
353 3GJ3 GDP 0.000000007658 0.52131 20.7547
354 3GJ0 GDP 0.00000001516 0.51351 20.7547
355 1KSH GDP 0.000000000008927 0.67669 20.9677
356 1ION ADP 0.00001666 0.4299 20.9877
357 4BAS GNP 0.000000000002789 0.70125 21.1055
358 4XSH GSP 0.00000001945 0.55845 21.229
359 1ZJ6 G3D 0.0000000001012 0.57356 21.3904
360 3QBT GNP 0.0000000003048 0.69433 21.4286
361 1TX4 ALF GDP 0.000000001293 0.62451 21.4689
362 1FZQ GDP 0.000000000589 0.54574 21.547
363 5DI3 GNP 0.000000000006394 0.69086 21.6216
364 1UPT GTP 0.00000000001896 0.67431 21.6374
365 1O3Y GTP 0.000000000001991 0.71965 21.6867
366 2J59 GTP 0.00000000000237 0.71714 21.6867
367 3AQ4 GDP 0.0000000001535 0.56596 21.7391
368 1NJF AGS 0.0005173 0.41335 22
369 1NJF ADP 0.0003768 0.40818 22
370 1CXZ GSP 0.0000000007537 0.62393 22.093
371 2QTV GNP 0.00000000008327 0.67221 22.1557
372 2A5F GTP 0.000000000001618 0.7341 22.2857
373 4KAX GTP 0.0000000000005259 0.72725 22.4852
374 4YLG GDP 0.000000002729 0.56869 22.5434
375 1S9D GDP 0.0000000002235 0.56023 22.561
376 1RE0 GDP 0.00000000002295 0.55917 22.561
377 1MR3 G3D 0.000000001975 0.53971 22.6519
378 5EE5 GTP 0.00000000001114 0.68289 22.807
379 1ZD9 GDP 0.000000001827 0.58622 22.8723
380 1Z83 AP5 0.005421 0.4024 22.9592
381 3Q85 GNP 0.00000000536 0.52099 23.0769
382 3PCR GTP 0.000000000001042 0.81493 23.4568
383 2J0V GDP 0.000002001 0.46482 23.5849
384 5UWQ GNP 0.00000000005544 0.71569 23.6287
385 5UWJ GNP 0.00000000007288 0.71097 23.6287
386 5UWP GNP 0.00000000007793 0.70165 23.6287
387 5UWI GNP 0.00000000005364 0.69978 23.6287
388 5UWU GNP 0.00000000005887 0.69825 23.6287
389 5UWR GNP 0.00000000006051 0.69778 23.6287
390 5DIF GNP 0.0000000000614 0.69758 23.6287
391 5UWH GNP 0.00000000006843 0.69576 23.6287
392 5UWT GNP 0.00000000006973 0.69546 23.6287
393 5DHF GNP 0.00000000007223 0.6949 23.6287
394 5DI9 GNP 0.0000000001107 0.69571 23.8095
395 3N5C GDP 0.00000000002233 0.85433 24.0741
396 1R4A GNP 0.00000000002718 0.69023 24.2424
397 2X77 GDP 0.00000005381 0.50632 24.8677
398 1WA5 GTP 0.0000000001938 0.69472 25
399 1Z0K GTP 0.000000001152 0.62682 25
400 2HV8 GTP 0.000000006483 0.6139 25
401 4V0K GDP 0.00000006571 0.56485 25.4438
402 3IIJ ADP 0.00004314 0.40252 26.6667
403 5UWS GNP 0.0000000001167 0.69481 27.2727
404 5UWW GNP 0.00000000006679 0.6962 28.5714
405 1J2J GTP 0.00000000002352 0.68345 28.8889
406 1NRJ GTP 0.0000000002189 0.63013 29.1139
407 3CNL GNP 0.0000000006151 0.52575 29.771
408 2W83 GTP 0.0000000000008263 0.73239 29.8701
409 3ZIA ADP 0.00008668 0.41452 31.1475
410 3ZIA ATP 0.0000388 0.41091 31.1475
411 3WY9 GDP 0.0000000003093 0.53777 31.25
412 1M7G ADX 0.0008528 0.43169 31.2796
413 1M7G ADP 0.00136 0.42072 31.2796
414 1M7G AV2 0.00000758 0.41706 31.2796
415 5UWO GNP 0.00000000007022 0.69536 35
416 2D7C GTP 0.0000000008214 0.64677 38.0952
417 2XTZ GSP 6.661e-16 0.8709 49.435
Pocket No.: 3; Query (leader) PDB : 1CS4; Ligand: FOK; Similar sites found: 2
This union binding pocket(no: 3) in the query (biounit: 1cs4.bio1) has 41 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2QV6 GTP 0.00001133 0.40951 3.11111
2 4WP9 ZDA 0.0000000001533 0.64286 36.1582
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