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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: 108
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 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 ADS THS THS THS 0.495495 0.767442
17 A2P 0.493976 0.888889
18 A3P 0.493976 0.902778
19 AMP 0.4875 0.902778
20 A 0.4875 0.902778
21 CPA 0.485714 0.860759
22 DDS 0.483146 0.890411
23 7D7 0.472222 0.802817
24 DA DT DA DA 0.470085 0.82716
25 ABM 0.46988 0.853333
26 RAB 0.465753 0.780822
27 ADN 0.465753 0.780822
28 XYA 0.465753 0.780822
29 7D3 0.464286 0.891892
30 PPS 0.461538 0.792683
31 PAP 0.460674 0.890411
32 ATR 0.460674 0.876712
33 A12 0.458824 0.868421
34 AP2 0.458824 0.868421
35 ADP 0.453488 0.878378
36 A2D 0.452381 0.853333
37 APC 0.449438 0.868421
38 SON 0.448276 0.868421
39 5CD 0.447368 0.743243
40 3AD 0.447368 0.791667
41 SRA 0.445783 0.855263
42 7D4 0.443182 0.891892
43 ADX 0.443182 0.771084
44 BA3 0.44186 0.853333
45 HEJ 0.438202 0.878378
46 ATP 0.438202 0.878378
47 AP5 0.436782 0.853333
48 B4P 0.436782 0.853333
49 3AT 0.434783 0.878378
50 5N5 0.434211 0.756757
51 5FA 0.433333 0.878378
52 2A5 0.433333 0.905405
53 AQP 0.433333 0.878378
54 AN2 0.431818 0.866667
55 AT4 0.431818 0.844156
56 A2R 0.431579 0.866667
57 ADV 0.428571 0.844156
58 SAP 0.428571 0.833333
59 RBY 0.428571 0.844156
60 AGS 0.428571 0.833333
61 A4D 0.428571 0.756757
62 A22 0.427083 0.866667
63 M33 0.426966 0.842105
64 CA0 0.426966 0.831169
65 AU1 0.426966 0.855263
66 AV2 0.425532 0.828947
67 NA7 0.424242 0.893333
68 ARJ 0.423077 0.736111
69 50T 0.422222 0.866667
70 ACP 0.422222 0.855263
71 NOC 0.421053 0.726027
72 MTA 0.419753 0.714286
73 T99 0.419355 0.844156
74 ACQ 0.419355 0.855263
75 TAT 0.419355 0.844156
76 V3L 0.419355 0.878378
77 MDR 0.417722 0.780822
78 PRX 0.417582 0.855263
79 APR 0.417582 0.853333
80 AR6 0.417582 0.853333
81 LMS 0.416667 0.75
82 QQY 0.416667 0.826667
83 ACK 0.416667 0.873239
84 DG DA DC DG 0.413534 0.819277
85 AD9 0.413043 0.855263
86 ADP PO3 0.413043 0.851351
87 EP4 0.4125 0.696203
88 MAP 0.412371 0.833333
89 ADP ALF 0.410526 0.7875
90 ALF ADP 0.410526 0.7875
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 5X8 0.406593 0.727273
96 6YZ 0.40625 0.855263
97 QQX 0.404762 0.815789
98 DU DU DU DU BRU DA DU 0.40458 0.807229
99 DOI 0.404494 0.864865
100 ANP 0.404255 0.855263
101 A3R 0.40404 0.894737
102 A1R 0.40404 0.894737
103 ADQ 0.40404 0.855263
104 FYA 0.401961 0.891892
105 ZAS 0.4 0.730769
106 5AD 0.4 0.708333
107 5AL 0.4 0.842105
108 DLL 0.4 0.842105
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: 139
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 9GM 0.770115 0.925
10 GMV 0.767442 0.925
11 G 0.756098 0.935897
12 5GP 0.756098 0.935897
13 G2R 0.747253 0.91358
14 GDD 0.744681 0.91358
15 GDC 0.744681 0.91358
16 GKE 0.744681 0.91358
17 GPG 0.73913 0.91358
18 GTG 0.736842 0.891566
19 G3A 0.729167 0.925
20 G5P 0.721649 0.925
21 GDR 0.71875 0.91358
22 GFB 0.71875 0.91358
23 GAV 0.714286 0.987179
24 GP2 0.712644 0.91358
25 6CK 0.71134 0.891566
26 Y9Z 0.708333 0.860465
27 JB2 0.69697 0.91358
28 GKD 0.69697 0.91358
29 G2P 0.692308 0.91358
30 GDX 0.69 0.925
31 GPD 0.69 0.880952
32 ALF 5GP 0.67033 0.847059
33 0O2 0.666667 0.935897
34 YGP 0.663265 0.858824
35 JB3 0.657143 0.902439
36 GDP ALF 0.645833 0.847059
37 GDP AF3 0.645833 0.847059
38 ALF GDP 0.645833 0.847059
39 GMP 0.641975 0.835443
40 G3D 0.638298 0.935897
41 NGD 0.635514 0.91358
42 2MD 0.633027 0.894118
43 CAG 0.630631 0.840909
44 G4P 0.625 0.935897
45 FEG 0.62037 0.83908
46 U2G 0.62037 0.891566
47 G G 0.617647 0.901235
48 MGD 0.616071 0.894118
49 ZGP 0.614679 0.872093
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 GH3 0.581633 0.924051
55 PGD 0.581197 0.926829
56 MD1 0.581197 0.894118
57 2GP 0.577778 0.911392
58 GCP G 0.563107 0.875
59 DGT 0.561224 0.878049
60 DBG 0.558333 0.902439
61 G1G 0.550847 0.880952
62 AGS 0.547368 0.924051
63 SAP 0.547368 0.924051
64 FE9 0.546219 0.8
65 A G 0.543103 0.888889
66 G4M 0.539062 0.840909
67 U A G G 0.538462 0.888889
68 G A A A 0.529915 0.878049
69 MGP 0.525253 0.91358
70 GPX 0.524272 0.898734
71 BGO 0.521739 0.879518
72 DGI 0.520408 0.878049
73 6G0 0.52 0.91358
74 IDP 0.515464 0.923077
75 R7I 0.51 0.898734
76 R5I 0.51 0.898734
77 GGM 0.508475 0.858824
78 G1R G1R 0.508065 0.879518
79 PGD O 0.504 0.875
80 AKW 0.495726 0.915663
81 G U 0.491525 0.857143
82 GTA 0.486726 0.891566
83 P2G 0.484536 0.839506
84 GPC 0.483607 0.83908
85 G C 0.483333 0.857143
86 P1G 0.474747 0.829268
87 DG 0.474227 0.865854
88 DGP 0.474227 0.865854
89 BA3 0.46875 0.85
90 IMP 0.463918 0.910256
91 B4P 0.463918 0.85
92 AP5 0.463918 0.85
93 G2Q 0.462963 0.91358
94 G G G RPC 0.459016 0.833333
95 APC G U 0.456 0.843373
96 ATP 0.45 0.873418
97 HEJ 0.45 0.873418
98 G G G C 0.448819 0.869048
99 A2D 0.447917 0.85
100 5FA 0.445545 0.873418
101 AQP 0.445545 0.873418
102 A G C C 0.445312 0.86747
103 G7M 0.444444 0.901235
104 G U34 0.442623 0.847059
105 01G 0.442478 0.860465
106 ITT 0.44 0.825
107 SGP 0.44 0.876543
108 HFD 0.436893 0.831325
109 G C C C 0.431818 0.879518
110 AT4 0.43 0.911392
111 AN2 0.43 0.8625
112 DG DG 0.428571 0.825581
113 A4P 0.42623 0.829545
114 UCG 0.424242 0.86747
115 PCG 0.423077 0.886076
116 C2E 0.423077 0.875
117 35G 0.423077 0.886076
118 MGO 0.420561 0.823529
119 ADP 0.42 0.873418
120 ANP 0.419048 0.851852
121 5GP 5GP 0.419048 0.839506
122 ADQ 0.418182 0.829268
123 7DT 0.417476 0.860759
124 AR6 0.417476 0.85
125 APR 0.417476 0.85
126 PRT 0.417391 0.910256
127 C1Z 0.415929 0.935897
128 A G U 0.414286 0.847059
129 AD9 0.413462 0.851852
130 UP5 0.413223 0.831325
131 A22 0.412844 0.8625
132 25L 0.412281 0.8625
133 M33 0.411765 0.839506
134 JBT 0.410405 0.783505
135 ACP 0.407767 0.851852
136 6YZ 0.407407 0.851852
137 ACQ 0.40566 0.851852
138 A1R 0.405405 0.8
139 A G U U 0.4 0.847059
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1CS4; Ligand: 101; Similar sites found with APoc: 94
This union binding pocket(no: 1) in the query (biounit: 1cs4.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 2QV6 GTP 3.11111
2 3R6K FUC GAL GLA 3.30189
3 4ARE FLC 3.77358
4 1PIG BGC GLC 3.77358
5 5HCA BGC 4
6 2HK9 SKM 4.24528
7 5E58 CPZ 4.31472
8 5X80 SAL 4.375
9 1JZN BGC GAL 4.44444
10 3WBZ ATP 4.71698
11 4UCC ZKW 4.71698
12 3R9V DXC 4.88889
13 5VCM UDP 5.18868
14 2Z49 AMG 5.32995
15 2Z48 NGA 5.32995
16 3AJ6 NGA 5.59441
17 3MEH THP 5.59441
18 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.66038
19 4BG4 ARG 5.66038
20 2CZL TLA 5.88235
21 2G37 FAD 6.11621
22 4MG8 27J 6.13208
23 5DXE EST 6.13208
24 5DXG EST 6.13208
25 4TUZ 36J 6.22222
26 3UUD EST 6.22222
27 5WGQ EST 6.22222
28 4WH9 3M8 6.55738
29 1PDZ PGA 6.60377
30 2AL2 PEP 6.60377
31 4RDL FUC GAL NDG FUC 6.66667
32 1HBK COA 6.74157
33 1QFT HSM 6.85714
34 1ICV NIO 6.91244
35 3PDB OAA 7.07547
36 1QXA GLY GLY GLY 7.07547
37 4YZT BGC BGC BGC BGC 7.11111
38 4LOC OXM 7.11111
39 5M42 FMN 7.16846
40 1SDW IYT 7.54717
41 4WEI GLC GAL 7.55556
42 4G9N NGA 7.69231
43 6HT0 GQ8 7.74194
44 3QYY C2E 7.78443
45 4BQS K2Q 7.95455
46 6H8S FSZ 8
47 1FDJ 13P 8
48 1TLG GAL 8
49 4OUJ LBT 8.46906
50 4ZGR NGA GAL 8.90688
51 2J6U DGT 8.96226
52 2J6S DTP 8.96226
53 4XJ7 ADN 9.33333
54 2D24 XYS XYS 9.77778
55 4K10 NI9 9.90566
56 4OWK NGA 10.1449
57 5DXT 5H5 10.2222
58 5BTX CMP 10.274
59 4I9A NCN 10.7639
60 2ZQO NGA 10.7692
61 5XQW 8EU 10.8491
62 1LSH PLD 10.8491
63 5MUA GAL 11.1888
64 1Y7P RIP 11.2108
65 4WQQ MAN 11.3475
66 6HL8 GUA 11.6147
67 3FW3 GLC 12.7358
68 1QPR PPC 13.0282
69 3A23 GAL 13.3333
70 4KGM ATP 13.8776
71 4G86 BNT 14.2222
72 2D5X L35 14.3836
73 4URX FK1 15.566
74 6BVM EBV 15.566
75 6BVK EAV 15.566
76 3VV1 GAL FUC 15.625
77 5TQZ GLC 16
78 1H8P PC 16.5138
79 2YVE MBT 16.7568
80 3NBC LAT 16.8919
81 4M1U A2G MBG 16.9811
82 2BOS GLA GAL GLC 17.6471
83 2BOS GLA GAL 17.6471
84 3AB4 THR 18.5393
85 3OKA GDD 19.0476
86 4XQM MAN 19.1489
87 1NU4 MLA 19.5876
88 5URY PAM 19.863
89 4ZVF GAV 20.9302
90 4IAW LIZ 23.4043
91 1KNM LAT 23.8462
92 5M36 9SZ 28.9474
93 4LO2 GAL BGC 33.3333
94 4WP9 ZDA 36.1582
Pocket No.: 2; Query (leader) PDB : 1CS4; Ligand: GSP; Similar sites found with APoc: 718
This union binding pocket(no: 2) in the query (biounit: 1cs4.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 2JLD ALA GLY GLY ALA ALA ALA ALA ALA 1.52284
2 3MD0 GDP 2.25352
3 2F5X ASP 2.35849
4 2O0J ADP 2.5974
5 4GBM A3P 2.83019
6 3IUY AMP 2.83019
7 1IZC PYR 2.83019
8 2OBM ADP 3.11111
9 1J6X MET 3.125
10 5JCP GDP ALF 3.30189
11 5WC2 ADP 3.30189
12 1NST A3P 3.38462
13 4D81 ADP 3.53357
14 4B47 GDP 3.55556
15 2B8W ALF 5GP 3.55556
16 5ZXD ATP 3.55556
17 3LN9 FLC 3.59712
18 1QAN SAH 3.68852
19 4JLV ADP 3.71747
20 1NN5 ANP 3.72093
21 1NN5 2DT 3.72093
22 2OG2 MLI 3.77358
23 4FCW ADP 3.77358
24 2ZPA ADP 3.77358
25 5MB4 NAG 3.77358
26 3PA8 621 3.77358
27 4UP4 NDG 3.77358
28 2RGX AP5 3.8835
29 1PUJ GNP 3.90071
30 1RYH GNP 3.94089
31 3R7F CP 3.94737
32 4TL6 ANP 3.95257
33 3B9Q MLI 3.97351
34 4RD0 GDP 4
35 1WF3 GNP 4
36 4V03 ADP 4
37 4AG5 ADP 4
38 4LJ9 ACP 4
39 3DKP ADP 4
40 4GOX A3P 4
41 3QKT ANP 4
42 4U8P UDP 4
43 5ZB0 ADP 4.0404
44 5ZB0 TYD 4.0404
45 5W76 GDP 4.24528
46 5H7J GCP 4.24528
47 5H7K GDP 4.24528
48 3LRE ADP 4.24528
49 3COB ADP 4.24528
50 5Y6N ADP 4.24528
51 1W5T ADP 4.24528
52 5HZ7 BGC 4.24528
53 1W5T ANP 4.24528
54 3W6G FLC 4.24528
55 2GKS ADP 4.24528
56 1LDN OXM 4.24528
57 2HK9 ATR 4.24528
58 4LHD GLY 4.24528
59 3BY9 SIN 4.24528
60 4QRH 0O2 4.28571
61 4KVA GTP 4.31472
62 5ZYN SIN 4.31472
63 3ZFD ANP 4.44444
64 5U32 GDP 4.44444
65 5L3V GDP 4.44444
66 1G6O ADP 4.44444
67 2CE7 ADP 4.44444
68 3FKQ ATP 4.44444
69 4RZ3 ADP 4.44444
70 3RC3 ANP 4.44444
71 1LVK MNT BEF 4.44444
72 1IWE IMP 4.44444
73 5L3W GDP 4.57516
74 3DZD ADP 4.61957
75 3WWC BUA 4.67033
76 2ZFI ADP 4.71698
77 1D2E GDP 4.71698
78 3Q9L ATP 4.71698
79 5Z69 AGS 4.71698
80 5AK0 8V1 4.71698
81 3QVV A3P 4.71698
82 4LAY I63 4.71698
83 4ZU4 4TG 4.72973
84 3FJG 3PG 4.78088
85 2IXE ATP 4.79705
86 3TD3 GLY 4.87805
87 1YRB GDP 4.88889
88 2DPY ADP 4.88889
89 2C9O ADP 4.88889
90 1OS1 PYR 5.07614
91 1OS1 ATP 5.07614
92 1L2T ATP 5.10638
93 4X8O AP5 5.14019
94 1Z0A GDP 5.17241
95 3EC1 GDP 5.18868
96 4WZ6 ATP 5.18868
97 5L3S GNP 5.18868
98 1R6B ADP 5.18868
99 2GK6 ADP 5.18868
100 6B4K ANP 5.18868
101 3TBK ANP 5.18868
102 1OJ4 ANP 5.30035
103 4DCT GDP 5.33333
104 2HF9 GSP 5.33333
105 1F76 ORO 5.33333
106 4R2I ANP 5.33333
107 5FJJ MAN 5.33333
108 1YTM ATP 5.33333
109 3BD9 A3P 5.33333
110 1JJV ATP 5.33981
111 1GWN GTP 5.36585
112 1CR1 TTP 5.40541
113 1Y63 ADP 5.43478
114 4PX9 ADP 5.47945
115 2CBZ ATP 5.48523
116 1GPM AMP 5.58376
117 3BER AMP 5.62249
118 5IFS ADP 5.66038
119 2PL3 ADP 5.66038
120 1P9B GDP 5.66038
121 1U2Z SAH 5.66038
122 3HU3 AGS 5.66038
123 2BIF ANP 5.66038
124 2BIF SIN 5.66038
125 4PYW ACE THR THR ALA ILE NH2 5.66038
126 4ZCW 4NG 5.66038
127 3MGB PAP 5.66038
128 2PZE ATP 5.67686
129 2VVG ADP 5.71429
130 1E96 GTP 5.72917
131 2Y65 ADP 5.77778
132 3EWA ANP 5.77778
133 5VGR GDP 5.77778
134 4QOS ADP 5.77778
135 1IN4 ADP 5.77778
136 4WOP CTP 5.77778
137 4NE2 SH2 5.77778
138 4NE2 ADP 5.77778
139 2BCG GDP 5.82524
140 3CPJ GDP 5.8296
141 2WJG GDP 5.85106
142 1MH1 GNP 5.91398
143 1VHT BA3 5.9633
144 1M7B GTP 5.97826
145 4DKX GDP 6.01852
146 5E5U MLI 6.03015
147 2D7D ADP 6.09137
148 5CK5 GDP 6.13208
149 6DEF GCP 6.13208
150 4YDS ATP 6.13208
151 4NON GDP 6.13208
152 1R0X ATP 6.13208
153 1XP8 AGS 6.13208
154 4PJ3 ANP 6.13208
155 1SQL GUN 6.16438
156 2IYL GDP 6.22222
157 1RJ9 GCP 6.22222
158 5MZN ADP 6.22222
159 1X6V ADP 6.22222
160 3BOS CDP 6.22222
161 3MBI HSX 6.22222
162 1VG8 GNP 6.28019
163 3W5J GDP 6.37255
164 2D2F ADP 6.4
165 4NU0 AP5 6.45161
166 1YZN GNP 6.48649
167 2X7I CIT 6.49351
168 1YVD GNP 6.50888
169 2G77 GDP 6.56566
170 2G77 AF3 6.56566
171 4ZNL BEF ADP 6.56934
172 6ACS CIT 6.58915
173 1KY3 GDP 6.59341
174 5JBE MAL 6.59898
175 5IRR GSP 6.60377
176 3DC4 ADP 6.60377
177 1G4U GDP 6.60377
178 1G4U AF3 6.60377
179 1FP6 ADP 6.60377
180 3MKN DNB 6.60377
181 4ZDJ UTP 6.60377
182 4HE2 AMP 6.60377
183 5ZI9 FLC 6.60377
184 4B2D FBP 6.60377
185 4O48 ASP 6.60377
186 4LPS GDP 6.61157
187 2WJH FLC 6.62651
188 2WJH GDP 6.62651
189 1GVF PGH 6.64336
190 1BG2 ADP 6.66667
191 2AWN ADP 6.66667
192 2WHX ADP 6.66667
193 5BN3 ADP 6.66667
194 2FAH GDP 6.66667
195 2JLR ANP 6.66667
196 5XDR ADP 6.66667
197 4Q1A 2XZ 6.66667
198 4Q1A UDP 6.66667
199 6FAA ADP 6.66667
200 5JCZ GDP 6.70391
201 1F2U ATP 6.71141
202 2OFW ADX 6.73077
203 4LX0 BEF GDP 6.77966
204 5M04 GDP 6.85279
205 4HSE ADP 6.85279
206 3NKV GNP 6.85714
207 2QZ4 ADP 6.87023
208 1ZIN AP5 6.91244
209 2CDN ADP 6.96517
210 2BEK ATP 7.00389
211 5K5Z ANP 7.00637
212 1VG1 GDP 7.02703
213 3RWO GDP 7.02703
214 2F9L GDP 7.03518
215 1H65 GDP 7.03704
216 3EZ2 ADP 7.07547
217 4XGU ADP 7.07547
218 4ZG4 VO4 ADP 7.07547
219 3TK1 GDP 7.07547
220 3ZQ6 ADP ALF 7.07547
221 4KBF AMP 7.07547
222 1QHG ATP 7.07547
223 2ZJ5 ADP 7.1066
224 3TKL GTP 7.11111
225 3SFV GDP 7.11111
226 4IEE AGS 7.11111
227 2FNA ADP 7.11111
228 3VX3 ADP 7.11111
229 5GVR LMR 7.11111
230 1Z6T ADP 7.11111
231 2OZE AGS 7.11111
232 4TQK NAG 7.11111
233 2EFE GNH 7.18232
234 3E5H GNP 7.30337
235 4YJ1 ADP 7.36041
236 5HR5 ADP 7.36041
237 4IOK ADP 7.36041
238 4IOK XPO 7.36041
239 5OCG GNP 7.40741
240 3QXC ATP 7.43802
241 5G3Y ADP 7.52212
242 1A5Z FBP 7.52351
243 1V8K ANP 7.54717
244 2XT3 ADP 7.54717
245 5J1J ANP 7.54717
246 3ZGE ASP 7.54717
247 2QEN ADP 7.54717
248 1AKY AP5 7.54717
249 5IRN ADP 7.54717
250 1WDT GTP 7.55556
251 1Z06 GNP 7.55556
252 1G7S GDP 7.55556
253 1MKY GDP 7.55556
254 5LTJ ADP 7.55556
255 4WEI GLC GAL 7.55556
256 4OI4 ATP 7.55556
257 1AQU A3P 7.55556
258 5LTJ BEF 7.55556
259 2CDC XYS 7.55556
260 1DAK ADP 7.58929
261 1DAK DPU 7.58929
262 5N9X THR 7.61421
263 3DEF GDP 7.63359
264 1YZQ GNP 7.64706
265 1Z08 GNP 7.64706
266 3RAB GNP 7.69231
267 5EXT ADP 7.69231
268 2PEZ GGZ 7.82123
269 2PEZ DAT 7.82123
270 4A4Z ANP 7.86802
271 3FB4 AP5 7.87037
272 3DCJ THH 7.90698
273 1S8F GDP 7.9096
274 4BQS K2Q 7.95455
275 4BQS ADP 7.95455
276 2WIC GNP 8
277 1VG9 GDP 8
278 1VG0 GDP 8
279 1QF5 RPL 8
280 1QF5 GDP 8
281 1CT9 GLN 8
282 3KC1 2T6 8.01187
283 5W7Q GDP 8.01887
284 1JJ7 ADP 8.01887
285 2WOJ ADP ALF 8.01887
286 4XTR ATP 8.01887
287 4XVU ATP 8.01887
288 4XTR ADP 8.01887
289 4PFO ADP 8.01887
290 2A9K GDP 8.02139
291 1D5C GDP 8.02469
292 5MVR ADP 8.02469
293 3GD8 GOL 8.07175
294 4PYA 2X3 8.07453
295 2C5L GTP 8.09249
296 5TB5 GDP 8.10811
297 5TAR GDP 8.10811
298 2FJU GSP 8.12183
299 5KSZ GCP 8.12183
300 3GJ5 GDP 8.1448
301 3GJ7 GDP 8.1448
302 3GJ4 GDP 8.1448
303 2J5V PCA 8.17439
304 4K81 GTP 8.18713
305 1KUJ MMA 8.27068
306 1BO4 COA 8.33333
307 5CIC 51R 8.33333
308 1SKQ GDP 8.37563
309 1KAO GDP 8.38323
310 3Q72 GNP 8.43373
311 1CLU DBG 8.43373
312 4R98 GNH 8.44444
313 1XMV ADP 8.44444
314 4IDN GNP 8.44444
315 5LB3 ADP 8.44444
316 5H68 AGS 8.44444
317 3A4M ADP 8.46154
318 4CR6 MAN 8.48709
319 3WXM GTP 8.49057
320 4FRZ ADP 8.49057
321 3H4S ADP 8.49057
322 3A1S GDP 8.49057
323 1UJ2 C5P 8.49057
324 2PW0 TRC 8.49057
325 1UJ2 ADP 8.49057
326 6CS8 F9Y 8.49057
327 5XKT GNP 8.5
328 5G41 AP5 8.52018
329 3SBD GNP 8.55615
330 1UAD GNP 8.57143
331 1T5C ADP 8.59599
332 1SVI GDP 8.71795
333 2VB6 ADP BEF 8.72483
334 2OWZ CIT 8.73494
335 2Q8M AMP 8.73494
336 6H5E ANP 8.76494
337 5WDR GNP 8.77193
338 4QM7 GTP 8.77193
339 3KTA AP5 8.79121
340 6G14 G4P 8.84354
341 4H1V GNP 8.88889
342 3NHB ADP 8.88889
343 3E70 GDP 8.88889
344 1DAR GDP 8.88889
345 1U0J ADP 8.88889
346 5M7P ADP 8.88889
347 5L2R MLA 8.88889
348 2GWH A3P 8.88889
349 3MJH GTP 8.92857
350 1Z2A GDP 8.92857
351 1U8Z GDP 8.92857
352 1F9V ADP 8.93372
353 5KSP GDP 8.94737
354 1OIX GDP 8.96226
355 1G6H ADP 8.96226
356 1OIV GDP 8.96226
357 4WZA ACP 8.96226
358 4WZA ADP 8.96226
359 5X40 ACP 8.96226
360 2V2G BEZ 8.96226
361 2Q2Y ADP 8.96226
362 2Q2Y MKR 8.96226
363 3FVQ ATP 8.96226
364 4U5X GNP 8.98876
365 1OFH ADP 9.03226
366 3KUD GDP 9.03614
367 5SZH GNP 9.15033
368 3VMF GTP 9.33333
369 3IO3 ADP 9.33333
370 4CVN ADP 9.42408
371 1GOJ ADP 9.43396
372 2A5J GDP 9.43396
373 5NM7 GLY 9.43396
374 1K6M AGS 9.43396
375 1VKJ A3P 9.47368
376 1HTW ADP 9.49367
377 4E03 ADP 9.70874
378 2CHG ANP 9.73451
379 3ITJ CIT 9.76331
380 4TTQ ATP 9.76744
381 1XKV ATP 9.77778
382 3KJI ADP 9.77778
383 6B8B ADP 9.77778
384 3REF GDP 9.79381
385 1G7C 5GP 9.89848
386 2C77 GNP 9.90566
387 2C78 GNP 9.90566
388 3T34 GDP 9.90566
389 4IHQ ADP 9.90566
390 1G41 ADP 9.90566
391 3QOX SAH 9.90566
392 3BFX A3P 9.90566
393 2FFQ GSP 9.94152
394 2EW1 GNP 9.95025
395 3UIE ANP 10
396 2YOH WMJ 10
397 5H67 ATP 10.0503
398 1ZUI SKM 10.119
399 1TL2 NDG 10.1695
400 2FH5 GTP 10.2222
401 2GDJ ANP 10.2222
402 1FNN ADP 10.2222
403 6F5W KG1 10.2222
404 3FYH ADP 10.2222
405 4Z87 5GP 10.2222
406 5XC5 GTP 10.2273
407 1B0U ATP 10.3053
408 5E95 GDP 10.3093
409 2ZEJ GDP 10.3261
410 6FHQ DE5 10.3448
411 1W0J ADP 10.3774
412 5FTB ANP 10.3774
413 1W0J ADP BEF 10.3774
414 5FHD ADP ALF 10.3774
415 1NY5 ADP 10.4061
416 5A1S FLC 10.4061
417 1G8S MET 10.4348
418 2GJ8 ALF GDP 10.4651
419 5KUT GDP 10.582
420 1R2Q GNP 10.5882
421 1G16 GDP 10.5882
422 3WYA GDP 10.5991
423 4NTO 1PW 10.628
424 1D2N ANP 10.6618
425 1WQ1 GDP 10.6667
426 6C90 ADP 10.6667
427 1WQ1 AF3 10.6667
428 2QJY UQ2 10.7807
429 5FG3 GDP 10.8491
430 4U00 ADP 10.8491
431 2WKQ GTP 10.8491
432 1KO8 6PG 10.8571
433 6GR0 F8W 10.9195
434 2CJW GDP 10.9375
435 3DDC GNP 11.0429
436 2XTN GTP 11.1111
437 3FWY ADP 11.1465
438 4C4P GNP 11.215
439 3GJX GTP 11.3208
440 6A20 ADP 11.3208
441 5I0H ADP BEF 11.3208
442 5ZBR ANP 11.3208
443 4C2C ALA ALA ALA 11.3208
444 2QQC AG2 11.3208
445 3TNF GNP 11.4943
446 3B7G ANP 11.5556
447 4OHY ANP 11.5556
448 1P4V GLY 11.5556
449 1M2O GNP 11.5789
450 1LVG ADP 11.6162
451 5BQ5 ADP BEF 11.6402
452 5TSH ANP 11.7925
453 5TSH ADP 11.7925
454 2IS6 ADP 11.7925
455 1T8U A3P 11.7925
456 3BC1 GNP 11.8644
457 1TUK PGM 11.9403
458 3GJ8 GDP 11.9565
459 4MKF AP5 11.9816
460 4LC1 GDP 12
461 2KIN ADP 12
462 2V7Q ADP 12
463 2CK3 ANP 12
464 4P4T GDP 12
465 5VHC BEF ADP 12
466 1OYY AGS 12
467 2CK3 ADP 12
468 2V7Q ATP 12
469 1XX6 ADP 12.0419
470 1I4D GDP 12.0536
471 4HI0 GDP 12.0603
472 2HT6 GDP 12.069
473 4LHW GNP 12.069
474 1WY7 SAH 12.0773
475 1YOE RIB 12.1118
476 2Q37 3AL 12.1547
477 5O74 GDP 12.1827
478 4PU6 ASP 12.2137
479 5W75 GDP 12.2642
480 3P4X ADP 12.2642
481 2B4B COA 12.2807
482 1EK0 GNP 12.3529
483 2XAU ADP 12.4365
484 4MKG AP5 12.4424
485 5UPK GNP 12.5
486 4P86 5GP 12.5683
487 4P3Y GDP 12.6904
488 3U6B GDP 12.6904
489 5JBQ GDP 12.6904
490 3U6K GDP 12.6904
491 4PC3 GDP 12.6904
492 4G5G GDP 12.6904
493 2BVN GNP 12.7226
494 1D8T GDP 12.7226
495 4KFU ACP 12.7358
496 1G3Q ADP 12.7358
497 1SVM ATP 12.7358
498 2VOH CIT 12.7389
499 5I34 GDP 12.8889
500 1MO9 KPC 12.8889
501 1MO9 FAD 12.8889
502 1S3G AP5 12.9032
503 4DID GDP 12.9534
504 5Z2M GTP 13.0435
505 1GRN AF3 13.089
506 1GRN GDP 13.089
507 1A4R GNH 13.089
508 1A4R GDP 13.089
509 4ITR GDP 13.089
510 2NGR GDP 13.089
511 2NGR AF3 13.089
512 2HCJ GDP 13.1343
513 2WMO GTP 13.1579
514 3WYG GTP 13.2075
515 3WYF GTP 13.2075
516 3M1I GTP 13.2075
517 4YMU ATP 13.2075
518 5N69 ADP 13.2075
519 4LYA ATP 13.2075
520 3BP1 GUN 13.2075
521 2FSH ANP 13.2075
522 4YS0 ADP 13.2075
523 4YMU ARG 13.2075
524 5UIV ADP 13.2159
525 3T5G GDP 13.2597
526 4PPF FLC 13.3333
527 1RRC ADP 13.3333
528 2ZR9 DTP 13.3333
529 2CHT TSA 13.3858
530 1Z0F GDP 13.4078
531 4ZKD GDP 13.4518
532 1X1R GDP 13.4831
533 6BSX GDP 13.4831
534 6BSX E7S 13.4831
535 1Z0J GTP 13.5593
536 6FA4 GNP 13.6792
537 5GOE GDP 13.6792
538 5O2T GSP 13.6792
539 4D0G GTP 13.7143
540 4HDO GNP 13.7725
541 3X1Z GNP 13.7725
542 4HDQ GNP 13.7725
543 2RCN GDP 13.7778
544 1OXV ANP 13.7778
545 5MEX PAP 13.7778
546 5HCN GCP 13.7931
547 4YC7 GNP 13.8122
548 1UPR 4IP 13.8211
549 1TU3 GNP 13.9241
550 1HE1 AF3 14.0741
551 1HE1 GDP 14.0741
552 1KMQ GNP 14.1304
553 5Y0T TAT 14.1509
554 1W7J ADP BEF 14.2222
555 4XOI GTP 14.4444
556 2W2X GSP 14.5161
557 1YQT ADP 14.6226
558 5YV5 ADP 14.6226
559 4R43 GDP 14.6667
560 1F5N GNP 14.6667
561 4M6T SAM 14.7541
562 2W58 ADP 14.8515
563 2UZI GTP 14.9123
564 4J0Q GDP 14.9746
565 1KK8 BEF ADP 15.0943
566 1B7T ADP 15.0943
567 4IP7 FBP 15.1111
568 5UQW GDP 15.3439
569 3PQC GDP 15.3846
570 3BFV ADP 15.4982
571 5L3R GCP 15.5556
572 1NVV GNP 15.566
573 6BVI GNP 15.566
574 6BVL GNP 15.566
575 6D55 GNP 15.566
576 6D5L GNP 15.566
577 6D59 GNP 15.566
578 6D56 GNP 15.566
579 6BVM GNP 15.566
580 6D5V GNP 15.566
581 6D5M GNP 15.566
582 6D5E GNP 15.566
583 6BVJ GNP 15.566
584 6D5H GNP 15.566
585 6D5J GNP 15.566
586 6BVK GNP 15.566
587 6D5G GNP 15.566
588 1NF3 GNP 15.625
589 5TQZ GLC 16
590 5N6N SUC 16.0377
591 1LFD GNP 16.092
592 2QN6 GDP 16.129
593 1SQ5 ADP 16.5094
594 5LEF GTP 16.6667
595 2ZTS ADP 16.7331
596 3KIF GDL 16.9811
597 5Y0Q APC 16.9811
598 1TQ4 GDP 17.3333
599 1IHU AF3 17.4528
600 1IHU ADP 17.4528
601 1F6B GDP 17.6768
602 1ZC3 GNP 17.6991
603 1DS6 GDP 17.7778
604 1JI0 ATP 17.7778
605 4JD0 1KH 17.7778
606 4KVG GTP 17.8571
607 1KK1 GNP 17.9245
608 2NCD ADP 17.9245
609 1GUA GNP 17.9641
610 3CYI ATP 18.1818
611 3ZS9 ADP ALF 18.4211
612 5KK4 44E 18.75
613 3B5J 12D 18.8679
614 2GCN GDP 18.9055
615 4M9Q GNP 18.9427
616 2Y8E GNP 18.9944
617 3T1O GDP 19.1919
618 3T12 GDP ALF 19.1919
619 2BME GNP 19.3548
620 3S6X SIA GAL BGC 19.5556
621 1OW3 GDP 19.6891
622 5URY PAM 19.863
623 2GCO GNP 19.9005
624 2O66 FLC 20
625 3RLF ANP 20.283
626 3DOE GTP 20.3125
627 5IRC GDP 20.4301
628 4TMZ GSP 20.4444
629 4NCN GTP 20.4444
630 4ZI2 GNP 20.5263
631 6BCB GSP 20.5405
632 6BCA GSP 20.5405
633 4D0N GDP 20.5405
634 5HPY GDP 20.5405
635 6BC0 GSP 20.5405
636 3LXR GDP 20.5405
637 5WLB GNP 20.5882
638 2QG6 NMN 20.603
639 4GOJ GNP 20.6349
640 1YZG GDP 20.6704
641 3CH5 GDP 20.7547
642 3GJ3 GDP 20.7547
643 5BXQ GDP 20.7547
644 3GJ0 GDP 20.7547
645 1IBR GNP 20.7547
646 4HAT GNP 20.7547
647 2Z5F A3P 20.7547
648 1KSH GDP 20.9677
649 1ION ADP 20.9877
650 4BAS GNP 21.1055
651 5J1S ATP 21.1382
652 4XSH GSP 21.229
653 1ZJ6 G3D 21.3904
654 3QBT GNP 21.4286
655 1TX4 ALF GDP 21.4689
656 1FZQ GDP 21.547
657 5DI3 GNP 21.6216
658 1UPT GTP 21.6374
659 1O3Y GTP 21.6867
660 2J59 GTP 21.6867
661 3AQ4 GDP 21.7391
662 5OEC GDP 21.8274
663 1NJF ADP 22
664 1NJF AGS 22
665 1CXZ GSP 22.093
666 2QTV GNP 22.1557
667 2A5F GTP 22.2857
668 4KAX GTP 22.4852
669 4YLG GDP 22.5434
670 1RE0 GDP 22.561
671 1S9D GDP 22.561
672 1MR3 G3D 22.6519
673 5EE5 GTP 22.807
674 1ZD9 GDP 22.8723
675 1Z83 AP5 22.9592
676 3Q85 GNP 23.0769
677 3PCR GTP 23.4568
678 1QHH ATP 23.4783
679 2J0V GDP 23.5849
680 5UWI GNP 23.6287
681 5UWR GNP 23.6287
682 5DIF GNP 23.6287
683 5UWH GNP 23.6287
684 5UWT GNP 23.6287
685 5DHF GNP 23.6287
686 5UWJ GNP 23.6287
687 5UWP GNP 23.6287
688 5UWQ GNP 23.6287
689 5UWU GNP 23.6287
690 6CIT GNP 23.6287
691 6MJ7 ARG 23.6364
692 5DI9 GNP 23.8095
693 3N5C GDP 24.0741
694 1R4A GNP 24.2424
695 2X77 GDP 24.8677
696 1WA5 GTP 25
697 1Z0K GTP 25
698 2HV8 GTP 25
699 4V0K GDP 25.4438
700 3IIJ ADP 26.6667
701 5UWS GNP 27.2727
702 5UWW GNP 28.5714
703 1J2J GTP 28.8889
704 1NRJ GTP 29.1139
705 1GXU 2HP 29.6703
706 3CNL GNP 29.771
707 2W83 GTP 29.8701
708 3ZIA ATP 31.1475
709 3ZIA ADP 31.1475
710 3WY9 GDP 31.25
711 1M7G AV2 31.2796
712 1M7G ADP 31.2796
713 1M7G ADX 31.2796
714 5YT0 GDP 33.3333
715 5UWO GNP 35
716 2D7C GTP 38.0952
717 3QF7 ANP 40
718 2XTZ GSP 49.435
Pocket No.: 3; Query (leader) PDB : 1CS4; Ligand: FOK; Similar sites found with APoc: 94
This union binding pocket(no: 3) in the query (biounit: 1cs4.bio1) has 41 residues
No: Leader PDB Ligand Sequence Similarity
1 2QV6 GTP 3.11111
2 3R6K FUC GAL GLA 3.30189
3 4ARE FLC 3.77358
4 1PIG BGC GLC 3.77358
5 5HCA BGC 4
6 2HK9 SKM 4.24528
7 5E58 CPZ 4.31472
8 5X80 SAL 4.375
9 1JZN BGC GAL 4.44444
10 3WBZ ATP 4.71698
11 4UCC ZKW 4.71698
12 3R9V DXC 4.88889
13 5VCM UDP 5.18868
14 2Z49 AMG 5.32995
15 2Z48 NGA 5.32995
16 3AJ6 NGA 5.59441
17 3MEH THP 5.59441
18 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.66038
19 4BG4 ARG 5.66038
20 2CZL TLA 5.88235
21 2G37 FAD 6.11621
22 4MG8 27J 6.13208
23 5DXE EST 6.13208
24 5DXG EST 6.13208
25 4TUZ 36J 6.22222
26 3UUD EST 6.22222
27 5WGQ EST 6.22222
28 4WH9 3M8 6.55738
29 1PDZ PGA 6.60377
30 2AL2 PEP 6.60377
31 4RDL FUC GAL NDG FUC 6.66667
32 1HBK COA 6.74157
33 1QFT HSM 6.85714
34 1ICV NIO 6.91244
35 3PDB OAA 7.07547
36 1QXA GLY GLY GLY 7.07547
37 4YZT BGC BGC BGC BGC 7.11111
38 4LOC OXM 7.11111
39 5M42 FMN 7.16846
40 1SDW IYT 7.54717
41 4WEI GLC GAL 7.55556
42 4G9N NGA 7.69231
43 6HT0 GQ8 7.74194
44 3QYY C2E 7.78443
45 4BQS K2Q 7.95455
46 6H8S FSZ 8
47 1FDJ 13P 8
48 1TLG GAL 8
49 4OUJ LBT 8.46906
50 4ZGR NGA GAL 8.90688
51 2J6U DGT 8.96226
52 2J6S DTP 8.96226
53 4XJ7 ADN 9.33333
54 2D24 XYS XYS 9.77778
55 4K10 NI9 9.90566
56 4OWK NGA 10.1449
57 5DXT 5H5 10.2222
58 5BTX CMP 10.274
59 4I9A NCN 10.7639
60 2ZQO NGA 10.7692
61 5XQW 8EU 10.8491
62 1LSH PLD 10.8491
63 5MUA GAL 11.1888
64 1Y7P RIP 11.2108
65 4WQQ MAN 11.3475
66 6HL8 GUA 11.6147
67 3FW3 GLC 12.7358
68 1QPR PPC 13.0282
69 3A23 GAL 13.3333
70 4KGM ATP 13.8776
71 4G86 BNT 14.2222
72 2D5X L35 14.3836
73 4URX FK1 15.566
74 6BVM EBV 15.566
75 6BVK EAV 15.566
76 3VV1 GAL FUC 15.625
77 5TQZ GLC 16
78 1H8P PC 16.5138
79 2YVE MBT 16.7568
80 3NBC LAT 16.8919
81 4M1U A2G MBG 16.9811
82 2BOS GLA GAL GLC 17.6471
83 2BOS GLA GAL 17.6471
84 3AB4 THR 18.5393
85 3OKA GDD 19.0476
86 4XQM MAN 19.1489
87 1NU4 MLA 19.5876
88 5URY PAM 19.863
89 4ZVF GAV 20.9302
90 4IAW LIZ 23.4043
91 1KNM LAT 23.8462
92 5M36 9SZ 28.9474
93 4LO2 GAL BGC 33.3333
94 4WP9 ZDA 36.1582
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