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 OP(=O...
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 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(n1C....
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 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(n1C....
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(n1C....
3 1CUL - 3PO H5 O10 P3 OP(=O)(O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 101; Similar ligands found: 99
No: Ligand ECFP6 Tc MDL keys Tc
1 101 1 1
2 103 0.7 0.875
3 3L1 0.617647 0.833333
4 3D1 0.617647 0.833333
5 DA 0.613333 0.943662
6 D5M 0.613333 0.943662
7 DAT 0.580247 0.917808
8 5F1 0.555556 0.767123
9 DTP 0.552941 0.917808
10 2AM 0.539474 0.902778
11 3AM 0.532468 0.942857
12 OVE 0.5 0.866667
13 A2P 0.493976 0.888889
14 A3P 0.493976 0.902778
15 A 0.4875 0.902778
16 AMP 0.4875 0.902778
17 CPA 0.485714 0.860759
18 DDS 0.483146 0.890411
19 DA DT DA DA 0.470085 0.82716
20 ABM 0.46988 0.853333
21 RAB 0.465753 0.780822
22 XYA 0.465753 0.780822
23 ADN 0.465753 0.780822
24 PPS 0.461538 0.792683
25 ATR 0.460674 0.876712
26 PAP 0.460674 0.890411
27 AP2 0.458824 0.868421
28 A12 0.458824 0.868421
29 ADP 0.453488 0.878378
30 A2D 0.452381 0.853333
31 APC 0.449438 0.868421
32 SON 0.448276 0.868421
33 5CD 0.447368 0.743243
34 3AD 0.447368 0.791667
35 SRA 0.445783 0.855263
36 ADX 0.443182 0.771084
37 BA3 0.44186 0.853333
38 AMP MG 0.440476 0.828947
39 ATP 0.438202 0.878378
40 B4P 0.436782 0.853333
41 AP5 0.436782 0.853333
42 3AT 0.434783 0.878378
43 5N5 0.434211 0.756757
44 5FA 0.433333 0.878378
45 2A5 0.433333 0.905405
46 AQP 0.433333 0.878378
47 A2R 0.431579 0.866667
48 SAP 0.428571 0.833333
49 RBY 0.428571 0.844156
50 A4D 0.428571 0.756757
51 ADV 0.428571 0.844156
52 AGS 0.428571 0.833333
53 A22 0.427083 0.866667
54 M33 0.426966 0.842105
55 AU1 0.426966 0.855263
56 CA0 0.426966 0.831169
57 ADS THS THS THS 0.426087 0.776471
58 AV2 0.425532 0.828947
59 NA7 0.424242 0.893333
60 ARJ 0.423077 0.736111
61 ACP 0.422222 0.855263
62 50T 0.422222 0.866667
63 NOC 0.421053 0.726027
64 MTA 0.419753 0.714286
65 ACQ 0.419355 0.855263
66 TAT 0.419355 0.844156
67 V3L 0.419355 0.878378
68 MDR 0.417722 0.780822
69 AR6 0.417582 0.853333
70 PRX 0.417582 0.855263
71 APR 0.417582 0.853333
72 ACK 0.416667 0.873239
73 QQY 0.416667 0.826667
74 DG DA DC DG 0.413534 0.819277
75 AD9 0.413043 0.855263
76 ADP PO3 0.413043 0.851351
77 EP4 0.4125 0.696203
78 MAP 0.412371 0.833333
79 ADP MG 0.411111 0.818182
80 ALF ADP 0.410526 0.7875
81 ADP ALF 0.410526 0.7875
82 DA DC DG DA 0.410448 0.819277
83 ATP MG 0.408602 0.818182
84 25A 0.408163 0.878378
85 DTA 0.407407 0.75
86 M2T 0.407407 0.679012
87 A3G 0.406977 0.763158
88 BEF ADP 0.406593 0.797468
89 ADP BEF 0.406593 0.797468
90 QQX 0.404762 0.815789
91 DOI 0.404494 0.864865
92 ANP 0.404255 0.855263
93 ADQ 0.40404 0.855263
94 A1R 0.40404 0.894737
95 FYA 0.401961 0.891892
96 5AD 0.4 0.708333
97 DLL 0.4 0.842105
98 5AL 0.4 0.842105
99 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: 120
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 G 0.756098 0.935897
11 5GP 0.756098 0.935897
12 G2R 0.747253 0.91358
13 GDD 0.744681 0.91358
14 GKE 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 GFB 0.71875 0.91358
21 GDR 0.71875 0.91358
22 GAV 0.714286 0.987179
23 GP2 0.712644 0.91358
24 Y9Z 0.708333 0.860465
25 JB2 0.69697 0.91358
26 GKD 0.69697 0.91358
27 GDP MG 0.696629 0.878049
28 G2P 0.692308 0.91358
29 GPD 0.69 0.880952
30 GDX 0.69 0.925
31 GCP G 0.677419 0.888889
32 ALF 5GP 0.67033 0.847059
33 0O2 0.666667 0.935897
34 GTP MG 0.666667 0.878049
35 BEF GDP 0.666667 0.847059
36 YGP 0.663265 0.858824
37 JB3 0.657143 0.902439
38 GDP AF3 0.645833 0.847059
39 GDP ALF 0.645833 0.847059
40 GMP 0.641975 0.835443
41 G3D 0.638298 0.935897
42 NGD 0.635514 0.91358
43 2MD 0.633027 0.894118
44 CAG 0.630631 0.840909
45 G4P 0.625 0.935897
46 FEG 0.62037 0.83908
47 U2G 0.62037 0.891566
48 G G 0.617647 0.901235
49 MGD 0.616071 0.894118
50 CG2 0.609091 0.891566
51 TPG 0.598291 0.804348
52 3GP 0.595506 0.898734
53 GDP 7MG 0.590476 0.86747
54 MD1 0.581197 0.894118
55 PGD 0.581197 0.926829
56 2GP 0.577778 0.911392
57 DGT 0.561224 0.878049
58 DBG 0.558333 0.902439
59 G1G 0.550847 0.880952
60 SAP 0.547368 0.924051
61 AGS 0.547368 0.924051
62 FE9 0.546219 0.8
63 G4M 0.539062 0.840909
64 G A A A 0.529915 0.878049
65 MGP 0.525253 0.91358
66 GPX 0.524272 0.898734
67 BGO 0.521739 0.879518
68 DGI 0.520408 0.878049
69 I2C FE2 CMO CMO 0.516667 0.774194
70 IDP 0.515464 0.923077
71 GGM 0.508475 0.858824
72 G1R G1R 0.508065 0.879518
73 PGD O 0.504 0.875
74 G G U 0.5 0.888889
75 GTA 0.486726 0.891566
76 P2G 0.484536 0.839506
77 GPC 0.483607 0.83908
78 G C 0.483333 0.857143
79 P1G 0.474747 0.829268
80 DGP 0.474227 0.865854
81 DG 0.474227 0.865854
82 BA3 0.46875 0.85
83 IMP 0.463918 0.910256
84 B4P 0.463918 0.85
85 AP5 0.463918 0.85
86 G2Q 0.462963 0.91358
87 G G G RPC 0.459016 0.833333
88 U G A 0.452555 0.847059
89 ATP 0.45 0.873418
90 G G G C 0.448819 0.869048
91 A2D 0.447917 0.85
92 AQP 0.445545 0.873418
93 5FA 0.445545 0.873418
94 G7M 0.444444 0.901235
95 G U34 0.442623 0.847059
96 01G 0.442478 0.860465
97 ITT 0.44 0.825
98 SGP 0.44 0.876543
99 G C C C 0.431818 0.879518
100 DG DG 0.428571 0.825581
101 A4P 0.42623 0.829545
102 PCG 0.423077 0.886076
103 35G 0.423077 0.886076
104 C2E 0.423077 0.875
105 MGO 0.420561 0.823529
106 ADP 0.42 0.873418
107 ANP 0.419048 0.851852
108 5GP 5GP 0.419048 0.839506
109 ADQ 0.418182 0.829268
110 APR 0.417476 0.85
111 AR6 0.417476 0.85
112 AD9 0.413462 0.851852
113 UP5 0.413223 0.831325
114 A22 0.412844 0.8625
115 25L 0.412281 0.8625
116 M33 0.411765 0.839506
117 JBT 0.410405 0.783505
118 ACP 0.407767 0.851852
119 ACQ 0.40566 0.851852
120 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: 10
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)
1 4LO2 GAL BGC 0.001741 0.47178
2 4LO2 GAL BGC 0.001993 0.45943
3 1WMZ NGA 0.0141 0.43338
4 1WMZ NGA 0.01633 0.432
5 1WMZ NGA 0.01633 0.432
6 1WMZ A2G 0.01841 0.42756
7 1WMZ A2G 0.01841 0.42756
8 2QV6 GTP 0.00001133 0.40951
9 4BQS K2Q 0.04351 0.40805
10 4BQS K2Q 0.04487 0.40732
Pocket No.: 2; Query (leader) PDB : 1CS4; Ligand: GSP; Similar sites found: 550
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)
1 1AZT GSP 8.561e-18 0.97752
2 1TAD GDP 1.126e-16 0.93364
3 1TAD ALF 1.126e-16 0.93364
4 1SVK ALF GDP 2.273e-16 0.92567
5 1BH2 GSP 2.576e-16 0.91955
6 3CX8 GSP 5.619e-16 0.90627
7 2XTZ GSP 6.661e-16 0.8709
8 2XTZ GSP 0.000000000000003109 0.86027
9 2XTZ GSP 0.000000000000001332 0.85986
10 3N5C GDP 0.00000000002233 0.85433
11 2ODE ALF GDP 0.00000000000001843 0.85392
12 3PCR GTP 0.000000000001042 0.81493
13 1FQJ GDP 0.00000000000001044 0.79905
14 1FQK GDP 0.00000000000001144 0.7978
15 3N5C GDP 0.000000000175 0.79658
16 2WJG GDP 0.0000000006284 0.79548
17 1FQK GDP 0.00000000000001865 0.7909
18 1FQJ GDP 0.00000000000001743 0.77606
19 1ZCB GDP 0.0000000000002472 0.77564
20 2WJG GDP 0.000000001059 0.77083
21 1Y3A GDP 0.0000000000002097 0.75387
22 4DKX GDP 0.000000003584 0.74444
23 3AB3 GDP 0.0000000000000534 0.74356
24 1GOT GDP 0.0000000000002356 0.73784
25 2A5F GTP 0.000000000001618 0.7341
26 2W83 GTP 0.0000000000008263 0.73239
27 3GJ8 GDP 0.000000004303 0.72892
28 3GJ8 GDP 0.00000000465 0.72728
29 4KAX GTP 0.0000000000005259 0.72725
30 1O3Y GTP 0.000000000001991 0.71965
31 2J59 GTP 0.000000000002126 0.71873
32 4DKX GDP 0.000000007204 0.71803
33 2J59 GTP 0.000000000002282 0.71762
34 2J59 GTP 0.00000000000237 0.71714
35 3T12 GDP ALF 0.000000000001093 0.71712
36 3DOE GTP 0.000000000002478 0.71666
37 3AB3 GDP 0.0000000000003646 0.71563
38 2J59 GTP 0.000000000003034 0.71363
39 1O3Y GTP 0.000000000006587 0.71248
40 2J59 GTP 0.000000000003461 0.71161
41 4M9Q GNP 0.000000000002017 0.70797
42 4M9Q GNP 0.000000000002077 0.70747
43 4GOJ GNP 0.000000000002408 0.70679
44 4M9Q GNP 0.000000000002201 0.70663
45 2J59 GTP 0.000000000002562 0.70361
46 1WDT GTP 0.000000002222 0.70139
47 4HAT GNP 0.00000000007922 0.70137
48 4BAS GNP 0.000000000002789 0.70125
49 4BAS GNP 0.000000000002789 0.70125
50 1GP2 GDP 0.000000000006778 0.69987
51 3WYG GTP 0.0000000001099 0.69583
52 1M7B GTP 0.000000001864 0.69558
53 1WA5 GTP 0.0000000001938 0.69472
54 3QBT GNP 0.0000000003027 0.69446
55 3QBT GNP 0.0000000003048 0.69433
56 1VG8 GNP 0.00000000008014 0.69284
57 1VG8 GNP 0.00000000008357 0.69214
58 3QBT GNP 0.000000000364 0.69122
59 1R4A GNP 0.00000000002718 0.69023
60 1IBR GNP 0.0000000001049 0.68882
61 1IBR GNP 0.0000000001073 0.68845
62 3WYF GTP 0.0000000001821 0.68727
63 2Y8E GNP 0.00000000006843 0.68612
64 2Y8E GNP 0.00000000006843 0.68612
65 1VG8 GNP 0.00000000013 0.68484
66 2FFQ GSP 0.0000000001333 0.68468
67 1Z08 GNP 0.0000000001341 0.68445
68 1VG8 GNP 0.0000000001352 0.68418
69 3M1I GTP 0.0000000001384 0.68408
70 1J2J GTP 0.00000000002352 0.68345
71 3QBT GNP 0.0000000005695 0.68336
72 4GOJ GNP 0.000000000005258 0.68297
73 1R2Q GNP 0.000000000681 0.68055
74 2C77 GNP 0.000000000006596 0.67935
75 3WYF GTP 0.0000000003028 0.67866
76 3GJX GTP 0.0000000002045 0.67778
77 3GJX GTP 0.0000000002074 0.67757
78 1KSH GDP 0.000000000008927 0.67669
79 1YZQ GNP 0.0000000002145 0.67654
80 1M2O GNP 0.00000000006315 0.67636
81 2C78 GNP 0.00000000001712 0.67617
82 2Y8E GNP 0.0000000001305 0.67597
83 1NVU GTP 0.0000000002434 0.67482
84 1NVU GTP 0.0000000002434 0.67482
85 1UPT GTP 0.00000000001896 0.67431
86 1NVV GNP 0.0000000002699 0.6731
87 1NVV GNP 0.0000000002699 0.6731
88 1NVV GNP 0.0000000002699 0.6731
89 1NVV GNP 0.0000000002699 0.6731
90 2QTV GNP 0.00000000008327 0.67221
91 3TNF GNP 0.0000000004921 0.67043
92 1LFD GNP 0.0000000002113 0.6692
93 1ZC3 GNP 0.0000000002094 0.66852
94 3DDC GNP 0.0000000003546 0.66851
95 3DDC GNP 0.0000000003546 0.66851
96 2C5L GTP 0.0000000003899 0.66683
97 2C5L GTP 0.0000000003937 0.6668
98 4HDO GNP 0.0000000004126 0.6661
99 2BME GNP 0.0000000002521 0.66599
100 1UPT GTP 0.00000000001647 0.6636
101 1TU3 GNP 0.0000000004841 0.6634
102 1Z08 GNP 0.0000000002848 0.66338
103 3RAB GNP 0.0000000003008 0.66333
104 2OM2 GDP 0.00000000001691 0.66287
105 3MJH GTP 0.0000000005029 0.66263
106 3MJH GTP 0.0000000003119 0.66244
107 1M2O GNP 0.0000000002964 0.66192
108 1M2O GNP 0.0000000002964 0.66192
109 2OM2 GDP 0.00000000004292 0.66063
110 4LX0 BEF GDP 0.0000000003749 0.65973
111 3BC1 GNP 0.0000000003877 0.65881
112 4LHW GNP 0.0000000002461 0.65869
113 1GUA GNP 0.000000000659 0.6583
114 1ZC3 GNP 0.0000000006572 0.65801
115 3WXM GTP 0.0000000002279 0.65797
116 2BME GNP 0.0000000004279 0.65766
117 2D7C GTP 0.000000000688 0.65745
118 3VMF GTP 0.0000000004108 0.65703
119 4KVG GTP 0.0000000004907 0.6552
120 2HF9 GSP 0.000000038 0.65485
121 2WKQ GTP 0.000000006931 0.65442
122 1UAD GNP 0.0000000005218 0.65414
123 2UZI GTP 0.0000000005579 0.65324
124 3WXM GTP 0.0000000005477 0.65251
125 4C4P GNP 0.000000001022 0.65097
126 1EK0 GNP 0.0000000006372 0.65089
127 1TU3 GNP 0.0000000006438 0.65087
128 4K81 GTP 0.000000001057 0.65002
129 1TU3 GNP 0.000000001642 0.65002
130 1LFD GNP 0.0000000007295 0.6492
131 4LHW GNP 0.0000000007164 0.64918
132 3BC1 GNP 0.0000000007306 0.64901
133 1YZN GNP 0.000000001182 0.64872
134 3WXM GTP 0.0000000004267 0.64829
135 4LHW GNP 0.000000000818 0.647
136 4LHW GNP 0.0000000008671 0.64695
137 2D7C GTP 0.0000000008214 0.64677
138 3WXM GTP 0.0000000007867 0.64656
139 1Z0K GTP 0.0000000003084 0.64565
140 2BME GNP 0.0000000005291 0.64564
141 4TMZ GSP 0.0000000002811 0.64507
142 3E5H GNP 0.000000001 0.64472
143 3E5H GNP 0.000000001 0.64472
144 4TMZ GSP 0.0000000003098 0.64381
145 4NCN GTP 0.0000000003089 0.64371
146 1HE1 AF3 0.000001228 0.64354
147 4NCN GTP 0.0000000003392 0.64256
148 1YZK GNP 0.0000000006741 0.64185
149 2BME GNP 0.0000000006992 0.64184
150 1OIX GDP 0.000000001807 0.64151
151 4KVG GTP 0.000000001181 0.64138
152 4HDQ GNP 0.000000001871 0.64092
153 4K81 GTP 0.000000002913 0.64031
154 4K81 GTP 0.000000002169 0.63856
155 3TKL GTP 0.0000000009407 0.63724
156 1MH1 GNP 0.000000003682 0.63634
157 1Z0J GTP 0.000000002724 0.63472
158 2HV8 GTP 0.000000001843 0.63406
159 1Z06 GNP 0.000000001133 0.63383
160 2GJ8 ALF GDP 0.000000002735 0.63338
161 4K81 GTP 0.000000004432 0.6332
162 1NRJ GTP 0.0000000002189 0.63013
163 3NKV GNP 0.000000002411 0.62989
164 1YVD GNP 0.000000002616 0.62888
165 2CBZ ATP 0.000005547 0.62689
166 1Z0K GTP 0.000000001152 0.62682
167 1TX4 ALF GDP 0.000000001293 0.62451
168 2CL6 CAG 0.000000003121 0.62436
169 1CXZ GSP 0.0000000007537 0.62393
170 1UAD GNP 0.000000002037 0.62387
171 1KMQ GNP 0.000000001453 0.62278
172 2GJ8 ALF GDP 0.000000005534 0.62186
173 1NF3 GNP 0.00000000402 0.62158
174 2FH5 GTP 0.0000000003882 0.62141
175 2FH5 GTP 0.0000000003882 0.62141
176 2FH5 GTP 0.0000000003882 0.62141
177 1NF3 GNP 0.000000002842 0.62087
178 1S8F GDP 0.000000009536 0.62022
179 1S8F GDP 0.000000009536 0.62022
180 1S8F GDP 0.000000009536 0.62022
181 4LHW GNP 0.000000005099 0.61834
182 1HE1 AF3 0.000002915 0.61759
183 1WF3 GNP 0.000000007164 0.61746
184 2EW1 GNP 0.00000000222 0.61631
185 1Z2A GDP 0.00000005698 0.61601
186 1E96 GTP 0.00000000596 0.61589
187 2W2X GSP 0.000000001383 0.61419
188 1GWN GTP 0.0000000008207 0.61394
189 2HV8 GTP 0.000000006483 0.6139
190 1GOJ ADP 0.000007342 0.61338
191 1GWN GTP 0.000000001161 0.60934
192 4DSU GDP 0.00000001292 0.60858
193 2BVN GNP 0.0000000001406 0.60434
194 2BVN GNP 0.0000000001475 0.60388
195 2FJU GSP 0.000000002767 0.59877
196 1Z08 GNP 0.000000007766 0.59684
197 1Z08 GNP 0.000000009131 0.5946
198 1Z08 GNP 0.000000009131 0.5946
199 3NKV GNP 0.000000005687 0.59311
200 3LXR GDP 0.000001839 0.59291
201 1XTQ GDP 0.000000009278 0.59252
202 2W2X GSP 0.000000003521 0.59175
203 3RWO GDP 0.00000002437 0.59142
204 3RWO GDP 0.00000002437 0.59142
205 3KUD GDP 0.000000004398 0.58865
206 3TH5 GNP 0.000000003207 0.5868
207 1ZD9 GDP 0.000000001827 0.58622
208 3T1O GDP 0.0000000001288 0.58134
209 1PUJ GNP 0.0000000004332 0.58093
210 3T1O GDP 0.0000000001535 0.57968
211 1TQ4 GDP 0.0000008962 0.57846
212 1X1R GDP 0.00000008607 0.57716
213 2WIC GNP 0.00000000009417 0.57562
214 2WIC GNP 0.00000000009417 0.57562
215 1YZG GDP 0.00000000009633 0.57403
216 1ZJ6 G3D 0.0000000001012 0.57356
217 1ZJ6 G3D 0.0000000001012 0.57356
218 1ZJ6 G3D 0.0000000001012 0.57356
219 1U8Z GDP 0.00000001769 0.57335
220 1CLU DBG 0.0000007004 0.56995
221 2G77 GDP 0.000000003325 0.56979
222 1WQ1 GDP 0.00000003921 0.56885
223 1HE1 GDP 0.000001509 0.56857
224 2GCO GNP 0.00000001065 0.56605
225 3AQ4 GDP 0.0000000001535 0.56596
226 3AQ4 GDP 0.0000000001688 0.56519
227 2GCO GNP 0.000000006014 0.56514
228 4V0K GDP 0.00000006571 0.56485
229 2NCD ADP 0.0000389 0.56463
230 1U8Z GDP 0.00000005254 0.56442
231 2HF9 GSP 0.000000565 0.56218
232 1HE1 GDP 0.000002131 0.56203
233 1KAO GDP 0.000000007103 0.56143
234 4BQS ADP 0.00003516 0.56091
235 4V0K GDP 0.000000009367 0.56072
236 1S9D GDP 0.0000000002235 0.56023
237 1RE0 GDP 0.00000000002295 0.55917
238 1SKQ GDP 0.00000000003826 0.55762
239 1SKQ GDP 0.0000000005512 0.55335
240 2WJH GDP 0.0000000009766 0.55249
241 2F9L GDP 0.0000001373 0.55013
242 1G7S GDP 0.0000000009988 0.54808
243 1F6B GDP 0.000000001096 0.54711
244 3WYA GDP 0.0000000003469 0.54639
245 1FZQ GDP 0.000000000589 0.54574
246 3TH5 GNP 0.00000001974 0.54394
247 1FQJ ALF 0.000000000002672 0.54181
248 4U5X GNP 0.00000005379 0.54169
249 4J0Q GDP 0.0000000002374 0.54115
250 4B47 GDP 0.0000000001862 0.54099
251 1RYH GNP 0.000000009681 0.54084
252 4J0Q GDP 0.0000000002511 0.54055
253 3REF GDP 0.0000001938 0.5405
254 1KK1 GNP 0.0000000003333 0.54047
255 4P3Y GDP 0.0000000003133 0.54007
256 4J0Q GDP 0.0000000002773 0.54
257 3GJ7 GDP 0.000000004086 0.53997
258 2WMO GTP 0.00000001149 0.53983
259 3U6B GDP 0.0000000003063 0.53981
260 1MR3 G3D 0.000000001975 0.53971
261 1FQJ ALF 0.000000000004347 0.53891
262 3CH5 GDP 0.00000000438 0.53888
263 3CH5 GDP 0.00000000438 0.53888
264 2QN6 GDP 0.0000000003743 0.53886
265 4J0Q GDP 0.0000000003181 0.53869
266 2ZFI ADP 0.00004849 0.53858
267 1DAR GDP 0.0000000009791 0.53842
268 3U6B GDP 0.0000000003879 0.53836
269 3WY9 GDP 0.000000000306 0.53827
270 1A2K GDP 0.000000004411 0.53785
271 1A2K GDP 0.000000004411 0.53785
272 3GJ5 GDP 0.000000004953 0.5378
273 3WY9 GDP 0.0000000003093 0.53777
274 4G5G GDP 0.000000001177 0.53772
275 4NON GDP 0.000001298 0.53698
276 2A9K GDP 0.00000003798 0.53693
277 1FQK ALF 0.000000000006434 0.53642
278 3RWO GDP 0.00000002481 0.53636
279 1MKY GDP 0.000000001161 0.53573
280 1D8T GDP 0.00000000143 0.53561
281 1D8T GDP 0.000000001562 0.53501
282 1D2E GDP 0.00000001847 0.53397
283 3GJ4 GDP 0.000000007349 0.53353
284 3U6K GDP 0.000000002095 0.53295
285 3GJ0 GDP 0.00000003072 0.53292
286 2HCJ GDP 0.0000000008683 0.53215
287 4J0Q GDP 0.0000000007609 0.53163
288 2HT6 GDP 0.0000000005411 0.52938
289 2HT6 GDP 0.0000000005645 0.52898
290 3U6K GDP 0.000000003678 0.5279
291 1YRB GDP 0.00000004283 0.52767
292 4HI0 GDP 0.0000001879 0.52666
293 3CNL GNP 0.0000000006151 0.52575
294 3SFV GDP 0.0000003337 0.524
295 4BQS ADP 0.00009961 0.523
296 3GJ5 GDP 0.00000000671 0.52278
297 1VG1 GDP 0.00000001249 0.52167
298 1Z0A GDP 0.00000002573 0.5214
299 3GJ3 GDP 0.000000007658 0.52131
300 1D5C GDP 0.0000001283 0.52119
301 3Q85 GNP 0.00000000536 0.52099
302 2ZEJ GDP 0.000002477 0.52014
303 2GCN GDP 0.0000006817 0.51932
304 1Z0A GDP 0.0000000342 0.51857
305 1Z0A GDP 0.0000000649 0.51857
306 1Z0A GDP 0.0000000649 0.51857
307 1Z0A GDP 0.0000000342 0.51857
308 1VG9 GDP 0.00000007808 0.51743
309 3GJ7 GDP 0.00000001174 0.5173
310 1S8F GDP 0.00000004092 0.51722
311 1S8F GDP 0.00000004092 0.51722
312 3T5G GDP 0.00000004639 0.51702
313 3Q85 GNP 0.000000007346 0.51668
314 3Q72 GNP 0.00000001436 0.51627
315 1VG9 GDP 0.00000008852 0.51577
316 3GJ4 GDP 0.00000001516 0.51499
317 1VG0 GDP 0.0000001079 0.51476
318 1A4R GDP 0.0000004276 0.51449
319 2C04 GCP 0.00004615 0.51446
320 3GJ0 GDP 0.00000001516 0.51351
321 3Q72 GNP 0.000000003273 0.51295
322 2A5J GDP 0.00000006932 0.5129
323 1FQK ALF 0.000000000007139 0.51253
324 1G16 GDP 0.000001106 0.51165
325 2RCN GDP 0.000000009711 0.51126
326 2RCN GDP 0.000000009711 0.51126
327 2BCG GDP 0.0000004374 0.51112
328 1OW3 GDP 0.0000002347 0.51108
329 3CPJ GDP 0.0000001831 0.51018
330 1KY3 GDP 0.0000001551 0.51002
331 4DCT GDP 0.00000004174 0.5099
332 2CJW GDP 0.00000001222 0.50975
333 1VG9 GDP 0.00000004005 0.50925
334 1Z0A GDP 0.00000001875 0.50838
335 1VG9 GDP 0.00000004822 0.50787
336 1Z0F GDP 0.00000004163 0.50701
337 1QF5 GDP 0.00004256 0.50635
338 1QF5 RPL 0.00004256 0.50635
339 2X77 GDP 0.00000005381 0.50632
340 1GRN GDP 0.000000485 0.50599
341 1A4R GNH 0.0000005805 0.50575
342 3REF GDP 0.000001764 0.50572
343 3T34 GDP 0.000001984 0.50559
344 4NON GDP 0.0000000217 0.50515
345 2NGR GDP 0.0000001023 0.50512
346 3EC1 GDP 0.0000000598 0.50481
347 3MD0 GDP 0.000000005255 0.50419
348 4WZA ACP 0.00008271 0.503
349 4WZA ADP 0.00008271 0.503
350 1JWY GDP 0.0000001553 0.50246
351 3EC1 GDP 0.00000001334 0.50148
352 2EFE GNH 0.000001106 0.49872
353 2B8W ALF 5GP 0.000004638 0.49825
354 1G4U GDP 0.000001219 0.49776
355 1A2K GDP 0.00000002718 0.4976
356 2EFE GNH 0.0000005511 0.49614
357 1IWE IMP 0.0003706 0.49607
358 2B8W ALF 5GP 0.000005666 0.49509
359 1F5N GNP 0.00002198 0.49339
360 2WJH FLC 0.0000001954 0.49096
361 2C04 GCP 0.0000932 0.49038
362 1Z0A GDP 0.00000007258 0.48725
363 1G7C 5GP 0.00000009495 0.48721
364 4IDN GNP 0.00001785 0.48717
365 3TK1 GDP 0.00000002467 0.4853
366 3ZS9 ADP ALF 0.00002035 0.48499
367 1RJ9 GCP 0.00009703 0.4845
368 2WOJ ADP ALF 0.00002406 0.48217
369 2WOJ ADP ALF 0.00002459 0.48181
370 2DPY ADP 0.00114 0.48172
371 3ZFD ANP 0.0000005539 0.48039
372 2NGR AF3 0.00000002729 0.47855
373 4P4T GDP 0.000003652 0.47664
374 4D0N GDP 0.0000003019 0.47656
375 3ZQ6 ADP ALF 0.00003377 0.4765
376 4ITR GDP 0.00000485 0.47572
377 1DS6 GDP 0.0000004713 0.47509
378 3ZQ6 ADP ALF 0.00005045 0.47498
379 4LC1 GDP 0.0000002929 0.47441
380 4DID GDP 0.0000007796 0.47418
381 2FNA ADP 0.0001881 0.47256
382 3HU3 AGS 0.0002426 0.47224
383 4H1V GNP 0.000005613 0.47096
384 2FNA ADP 0.0001838 0.46869
385 2J0V GDP 0.000001793 0.46587
386 2XTN GTP 0.00003243 0.46487
387 2J0V GDP 0.000002001 0.46482
388 1SVI GDP 0.0000006021 0.46429
389 2J0V GDP 0.000002038 0.46411
390 2J0V GDP 0.000002377 0.46323
391 4LPS GDP 0.000001025 0.4611
392 3ZS9 ADP ALF 0.00004509 0.46104
393 4LPS GDP 0.000001939 0.46071
394 1I4D GDP 0.000001026 0.45875
395 1OW3 MGF 0.0000001965 0.45537
396 1GRN AF3 0.0000003345 0.45117
397 1ZUI SKM 0.0004042 0.45027
398 3PQC GDP 0.00001164 0.44827
399 1V8K ANP 0.000001734 0.44717
400 1V8K ANP 0.000001734 0.44717
401 2ZTS ADP 0.001257 0.44499
402 3W5J GDP 0.00000003738 0.44255
403 3IO3 ADP 0.00000726 0.44207
404 3IO3 ADP 0.00003277 0.44136
405 1WQ1 AF3 0.00000003406 0.44126
406 1DAK DPU 0.001033 0.44094
407 1DAK ADP 0.001033 0.44094
408 3PQC GDP 0.00000278 0.44053
409 2G77 AF3 0.0000001093 0.43947
410 3A1S GDP 0.000005332 0.43946
411 1P9B GDP 0.00003493 0.43907
412 4JLN 18V 0.01306 0.43808
413 4JLN UDP 0.01306 0.43808
414 2Q2Y MKR 0.004725 0.43627
415 2Q2Y ADP 0.004725 0.43627
416 4OHY ANP 0.0002268 0.43602
417 3SR4 TT8 0.0009268 0.43574
418 1IHU ADP 0.0001606 0.43549
419 2OFW ADX 0.001178 0.4352
420 1E4V AP5 0.001636 0.4348
421 3A1S GDP 0.000009976 0.43463
422 1E4V AP5 0.001773 0.43435
423 3ZGE ASP 0.01155 0.43424
424 1IHU AF3 0.0001279 0.43356
425 2BEK ATP 0.001224 0.43334
426 3ZGE ASP 0.01205 0.43274
427 3ZGE ASP 0.01205 0.43274
428 3FWY ADP 0.00004704 0.43266
429 2VOH CIT 0.01103 0.43245
430 1M7G ADX 0.0008285 0.43219
431 3QOX SAH 0.0003205 0.43215
432 1M7G ADX 0.0008528 0.43169
433 1M7G ADX 0.0008528 0.43169
434 1M7G ADX 0.0008528 0.43169
435 1M7G ADX 0.0008528 0.43169
436 1G8S MET 0.01083 0.4316
437 2BEK ATP 0.0001582 0.43127
438 2QEN ADP 0.00004215 0.4308
439 1G3Q ADP 0.00000914 0.43012
440 1ION ADP 0.00001666 0.4299
441 1H65 GDP 0.0002263 0.42877
442 3DEF GDP 0.00005335 0.42873
443 4E03 ADP 0.0000165 0.42852
444 4E03 ADP 0.0000165 0.42852
445 1X6V ADP 0.000934 0.42712
446 3Q9L ATP 0.00006836 0.42691
447 4KVA GTP 0.002092 0.42615
448 3E70 GDP 0.00002371 0.42565
449 3Q9L ATP 0.00001881 0.42521
450 3Q9L ATP 0.00002117 0.42428
451 4IOK ADP 0.001018 0.42408
452 2VB6 ADP BEF 0.0002406 0.42382
453 1FP6 ADP 0.0001152 0.42373
454 2PEZ DAT 0.001498 0.4234
455 2PEZ GGZ 0.001498 0.4234
456 1M7G ADP 0.00136 0.42072
457 1Y63 ADP 0.000009464 0.42061
458 1UJ2 C5P 0.0009786 0.42008
459 1NJF AGS 0.0003425 0.4197
460 4IOK XPO 0.0006638 0.41906
461 1H65 GDP 0.0003843 0.4188
462 2IYL GDP 0.00002083 0.41822
463 1W7J ADP BEF 0.0001098 0.41812
464 1M7G AV2 0.00000752 0.41779
465 1NJF AGS 0.0002828 0.4176
466 1M7G ADP 0.001649 0.41743
467 1W0J ADP 0.00006332 0.41743
468 3FB4 AP5 0.003434 0.41733
469 2CHG ANP 0.0004256 0.4173
470 1M7G AV2 0.00000758 0.41706
471 1M7G AV2 0.00000758 0.41706
472 1M7G AV2 0.00000758 0.41706
473 1M7G AV2 0.00002551 0.41706
474 2CHG ANP 0.0002362 0.41584
475 4OI4 ATP 0.0005305 0.41578
476 3ZIA ADP 0.00008147 0.41555
477 1YTM ATP 0.0003342 0.41555
478 1KK8 BEF ADP 0.0001413 0.41536
479 4OI4 ATP 0.0005487 0.41522
480 3FKQ ATP 0.00016 0.41488
481 3ZIA ADP 0.00008668 0.41452
482 2Q2Y ADP 0.004105 0.41416
483 1NJF AGS 0.0005173 0.41335
484 2BIF ANP 0.002894 0.41331
485 2BIF SIN 0.005103 0.41331
486 2DWO ADP 0.003585 0.41323
487 4MKF AP5 0.00461 0.41313
488 4MKG AP5 0.004371 0.41304
489 4E03 ADP 0.00001915 0.41283
490 2V7Q ATP 0.00005426 0.41265
491 1YTM ATP 0.0004116 0.41259
492 2V26 ADP 0.0004774 0.4123
493 2DWO PEP 0.003551 0.41222
494 2CHG ANP 0.0003061 0.41208
495 1FP6 ADP 0.000115 0.41095
496 3ZIA ATP 0.00003862 0.41093
497 3ZIA ATP 0.0000388 0.41091
498 2Q2Y MKR 0.004684 0.41074
499 3KJI ADP 0.0001972 0.41068
500 2C9O ADP 0.0004182 0.41051
501 3VX3 ADP 0.0003797 0.41026
502 1LVG ADP 0.000004781 0.41015
503 4NU0 AP5 0.004638 0.40982
504 1S3G AP5 0.005236 0.40982
505 4NU0 AP5 0.005249 0.40978
506 1SVM ATP 0.007737 0.40944
507 1U2Z SAH 0.00134 0.40911
508 2OZE AGS 0.0003996 0.40857
509 2QG6 NMN 0.002585 0.40828
510 1NJF ADP 0.0003768 0.40818
511 3KJI ADP 0.0002926 0.40801
512 4MKF AP5 0.005511 0.40785
513 2CHG ANP 0.0002756 0.40757
514 3PA8 621 0.0296 0.40726
515 3BOS CDP 0.0000336 0.40712
516 1U2Z SAH 0.001563 0.40661
517 4TTQ ATP 0.00005067 0.40644
518 1U2Z SAH 0.001294 0.40598
519 1L2T ATP 0.001335 0.40567
520 1L2T ATP 0.001335 0.40567
521 1NN5 ANP 0.003952 0.4053
522 1NN5 2DT 0.003952 0.4053
523 2QZ4 ADP 0.0001266 0.40517
524 1OS1 PYR 0.003699 0.40507
525 2CE7 ADP 0.0001199 0.40492
526 3DC4 ADP 0.00001328 0.40486
527 4NE2 ADP 0.005454 0.40469
528 4NE2 SH2 0.005821 0.40469
529 4NE2 SH2 0.00586 0.40457
530 1D2N ANP 0.0006474 0.40443
531 2C9O ADP 0.0006269 0.40434
532 4NE2 ADP 0.005209 0.40431
533 3RLF ANP 0.001102 0.40413
534 1OS1 ATP 0.003654 0.40387
535 3QVV A3P 0.005726 0.40384
536 1UJ2 ADP 0.002606 0.40379
537 1ZIN AP5 0.007396 0.40367
538 3MBI HSX 0.02966 0.40318
539 1JWY ADP 0.00007169 0.40314
540 3FVQ ATP 0.0005637 0.40297
541 2CE7 ADP 0.0001431 0.40279
542 3IIJ ADP 0.00004314 0.40252
543 1Z83 AP5 0.005421 0.4024
544 1Z83 AP5 0.005421 0.4024
545 1KO8 6PG 0.0006119 0.40173
546 1MO9 FAD 0.03114 0.40167
547 2RGX AP5 0.009709 0.40078
548 1XKV ATP 0.0002278 0.40071
549 1IN4 ADP 0.0005921 0.4007
550 1FNN ADP 0.0006316 0.40038
Pocket No.: 3; Query (leader) PDB : 1CS4; Ligand: FOK; Similar sites found: 10
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)
1 4LO2 GAL BGC 0.001741 0.47178
2 4LO2 GAL BGC 0.001993 0.45943
3 1WMZ NGA 0.0141 0.43338
4 1WMZ NGA 0.01633 0.432
5 1WMZ NGA 0.01633 0.432
6 1WMZ A2G 0.01841 0.42756
7 1WMZ A2G 0.01841 0.42756
8 2QV6 GTP 0.00001133 0.40951
9 4BQS K2Q 0.04351 0.40805
10 4BQS K2Q 0.04487 0.40732
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