Receptor
PDB id Resolution Class Description Source Keywords
2ZMF 2.1 Å EC: 3.1.4.17 CRYSTAL STRUCTURE OF THE C-TERMINAL GAF DOMAIN OF HUMAN PHOSPHODIESTERASE 10A HOMO SAPIENS GAF DOMAIN PHOSPHODIESTERASE CAMP CGMP CGMP-BINDING HYDNUCLEOTIDE-BINDING STRUCTURAL GENOMICS NPPSFA NATIONAL PPROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES RIKEN STRUCTURAGENOMICS/PROTEOMICS INITIATIVE RSGI
Ref.: CRYSTAL STRUCTURE OF THE GAF-B DOMAIN FROM HUMAN PHOSPHODIESTERASE 10A COMPLEXED WITH ITS LIGAND, CA J.BIOL.CHEM. V. 283 19657 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CMP A:2001;
B:2001;
Valid;
Valid;
none;
none;
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329.206 C10 H12 N5 O6 P c1nc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZMF 2.1 Å EC: 3.1.4.17 CRYSTAL STRUCTURE OF THE C-TERMINAL GAF DOMAIN OF HUMAN PHOSPHODIESTERASE 10A HOMO SAPIENS GAF DOMAIN PHOSPHODIESTERASE CAMP CGMP CGMP-BINDING HYDNUCLEOTIDE-BINDING STRUCTURAL GENOMICS NPPSFA NATIONAL PPROTEIN STRUCTURAL AND FUNCTIONAL ANALYSES RIKEN STRUCTURAGENOMICS/PROTEOMICS INITIATIVE RSGI
Ref.: CRYSTAL STRUCTURE OF THE GAF-B DOMAIN FROM HUMAN PHOSPHODIESTERASE 10A COMPLEXED WITH ITS LIGAND, CA J.BIOL.CHEM. V. 283 19657 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 2ZMF - CMP C10 H12 N5 O6 P c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 2ZMF - CMP C10 H12 N5 O6 P c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 2ZMF - CMP C10 H12 N5 O6 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CMP; Similar ligands found: 94
No: Ligand ECFP6 Tc MDL keys Tc
1 CMP 1 1
2 2BA 1 0.984848
3 SP1 0.757143 0.928571
4 RP1 0.757143 0.928571
5 1YD 0.727273 0.902778
6 4BW 0.727273 0.902778
7 1SY 0.653061 0.902778
8 1OR 0.635294 0.807692
9 4UR 0.626263 0.902778
10 7CH 0.580247 0.984615
11 6SX 0.573171 0.953846
12 6SZ 0.559524 0.984848
13 N6S 0.535354 0.914286
14 N6R 0.535354 0.914286
15 C2E 0.534091 0.902778
16 35G 0.534091 0.888889
17 PCG 0.534091 0.888889
18 1YC 0.53 0.875
19 Y3J 0.506667 0.753623
20 5CD 0.5 0.811594
21 XYA 0.5 0.826087
22 ACK 0.5 0.897059
23 ADN 0.5 0.826087
24 RAB 0.5 0.826087
25 6SW 0.494382 0.9
26 5AD 0.493151 0.776119
27 5N5 0.486842 0.8
28 75G 0.483146 0.890411
29 A4D 0.480519 0.8
30 M2T 0.475 0.736842
31 MTA 0.469136 0.777778
32 CC5 0.466667 0.850746
33 EP4 0.4625 0.756757
34 DTA 0.45679 0.816901
35 QQX 0.452381 0.835616
36 AMP 0.447059 0.927536
37 A 0.447059 0.927536
38 QQY 0.447059 0.847222
39 3DH 0.440476 0.777778
40 AMP MG 0.436782 0.875
41 3AM 0.435294 0.913043
42 ABM 0.431818 0.901408
43 J7C 0.431818 0.75
44 A2D 0.431818 0.928571
45 ZAS 0.430233 0.77027
46 7D7 0.428571 0.771429
47 S4M 0.426966 0.666667
48 6RE 0.425287 0.74026
49 SRA 0.425287 0.876712
50 3AD 0.425 0.838235
51 2AM 0.423529 0.9
52 AP2 0.422222 0.864865
53 A12 0.422222 0.864865
54 BA3 0.422222 0.928571
55 MAO 0.422222 0.740741
56 NEC 0.420455 0.726027
57 A3G 0.420455 0.780822
58 DSH 0.420455 0.727273
59 AOC 0.420455 0.802817
60 BEF ADP 0.419355 0.84
61 SFG 0.419355 0.753425
62 ADP BEF 0.419355 0.84
63 6JR 0.419048 0.927536
64 B4P 0.417582 0.928571
65 5AS 0.417582 0.741176
66 AP5 0.417582 0.928571
67 ADP 0.417582 0.901408
68 A3N 0.41573 0.767123
69 APC 0.414894 0.864865
70 SON 0.413043 0.864865
71 AN2 0.413043 0.888889
72 EEM 0.412371 0.691358
73 GJV 0.411111 0.730769
74 GGZ 0.41 0.78481
75 OVE 0.409091 0.863014
76 ADP MG 0.408602 0.863014
77 AU1 0.408602 0.876712
78 M33 0.408602 0.888889
79 CA0 0.408602 0.876712
80 ADX 0.408602 0.810127
81 A3P 0.406593 0.927536
82 5X8 0.404255 0.767123
83 50T 0.404255 0.888889
84 ATP 0.404255 0.901408
85 ACP 0.404255 0.876712
86 VO4 ADP 0.40404 0.888889
87 ADP VO4 0.40404 0.888889
88 SAM 0.402062 0.691358
89 0UM 0.401961 0.7
90 AQP 0.4 0.901408
91 APR 0.4 0.901408
92 PRX 0.4 0.876712
93 AR6 0.4 0.901408
94 5FA 0.4 0.901408
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZMF; Ligand: CMP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2zmf.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2ZMF; Ligand: CMP; Similar sites found: 100
This union binding pocket(no: 2) in the query (biounit: 2zmf.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2XKO AKG 0.006591 0.43318 None
2 5V1B 8UY 0.007548 0.42713 None
3 2G30 ALA ALA PHE 0.00002595 0.51706 1.5873
4 2E27 AB0 0.008272 0.41166 1.68067
5 5F6U 5VK 0.004582 0.43635 1.91083
6 4XLI 1N1 0.005042 0.41363 2.1164
7 5H9Q TD2 0.000137 0.50958 2.58065
8 3ZJX BOG 0.004559 0.44225 2.6455
9 3BF8 MLA 0.01491 0.41371 2.6455
10 4R38 RBF 0.001684 0.42879 2.85714
11 5IXH OTP 0.02679 0.4004 3.10559
12 4MNS 2AX 0.005677 0.43679 3.14465
13 1Y9Q MED 0.004956 0.43481 3.1746
14 5LUN OGA 0.01774 0.40818 3.1746
15 4BG4 ADP 0.005921 0.4068 3.1746
16 1UZ4 IFL 0.02196 0.40446 3.1746
17 2OFV 242 0.01582 0.40431 3.1746
18 3LJU IP9 0.01538 0.40268 3.1746
19 1WD4 AHR 0.019 0.40237 3.1746
20 3AB4 THR 0.02109 0.4001 3.1746
21 4WOE ADP 0.000685 0.48377 3.7037
22 4COQ SAN 0.005813 0.43469 3.7037
23 4KBA 1QM 0.006888 0.42427 3.7037
24 4OYA 1VE 0.02007 0.41971 3.7037
25 5G1N PAL 0.005612 0.41546 3.7037
26 2XMY CDK 0.02632 0.41388 3.7037
27 4F4P 0SB 0.02285 0.41369 3.7037
28 3QP6 HL6 0.01049 0.40294 3.7037
29 1DZK PRZ 0.002108 0.43064 3.82166
30 4HIA FMN 0.01516 0.40516 3.97727
31 1GQG DCD 0.003665 0.41781 4
32 1QY1 PRZ 0.001113 0.4207 4.02299
33 4YJK URA 0.001377 0.46438 4.2328
34 3WV6 GAL GLC 0.0009044 0.44783 4.2328
35 4X5S AZM 0.008108 0.42643 4.2328
36 3KFF XBT 0.002892 0.44833 4.32099
37 2OVD DAO 0.004037 0.44405 4.3956
38 2YMZ LAT 0.0006444 0.46191 4.61538
39 5L8N 6RQ 0.01861 0.40777 4.6875
40 5MX4 HPA 0.001386 0.46862 4.7619
41 3KRR DQX 0.04406 0.40213 4.7619
42 1UGX GAL MGC 0.01665 0.40522 5.26316
43 5KJW 53C 0.003255 0.4457 5.29101
44 5EW9 5VC 0.03552 0.422 5.29101
45 2XVD AS6 0.008766 0.4087 5.29101
46 1WUB OTP 0.01924 0.40723 5.29101
47 5UR1 YY9 0.01908 0.40648 5.29101
48 2PFY PCA 0.02415 0.40084 5.29101
49 5IXG OTP 0.01677 0.41267 5.32544
50 1U18 HSM 0.00558 0.4276 5.40541
51 4RYV ZEA 0.01286 0.40657 5.80645
52 4B0T ADP 0.005605 0.41299 5.82011
53 2R0D 4IP 0.004962 0.43133 6.05187
54 3SXF BK5 0.005853 0.42303 6.34921
55 2X4Z X4Z 0.009219 0.41399 6.34921
56 4NS0 PIO 0.0133 0.41873 6.76692
57 4S1D 41M 0.002197 0.4544 6.87831
58 5A5W GUO 0.007202 0.42541 6.87831
59 5NBW 8SK 0.008224 0.41178 6.87831
60 3R7F CP 0.02083 0.40454 6.87831
61 2GC0 PAN 0.005333 0.4088 6.91489
62 1KGI T4A 0.007177 0.40667 7.08661
63 5L2J 6UL 0.01815 0.42249 7.14286
64 5L2J 70E 0.0192 0.42249 7.14286
65 1C1L GAL BGC 0.002796 0.45047 7.29927
66 2HK5 1BM 0.004999 0.40835 7.40741
67 2H8H H8H 0.005696 0.40008 7.40741
68 3VMG 9CA 0.008908 0.41014 7.93651
69 2WZE XYP XYP XYP 0.02329 0.40212 7.93651
70 5JSP DQY 0.004504 0.44051 7.9602
71 1MDC PLM 0.001415 0.43589 8.33333
72 2XN5 FUN 0.01023 0.4114 8.46561
73 2Q4H AMP 0.008939 0.40693 8.46561
74 2W5F XYP XYP XYP 0.02369 0.40174 8.46561
75 3FW3 ETS 0.01447 0.4041 8.99471
76 3L9R L9R 0.02159 0.40013 9.18367
77 1REQ DCA 0.0219 0.40543 9.52381
78 5FBN 5WF 0.01748 0.40121 9.52381
79 1OFL NGK GCD 0.001975 0.45254 10.0529
80 5CHR 4NC 0.01292 0.40648 10.219
81 5AIG VPR 0.004191 0.43013 10.4
82 4B2Z P5S 0.004844 0.43136 10.582
83 3G5D 1N1 0.02729 0.40785 11.1111
84 4AQ4 G3P 0.021 0.40443 11.1111
85 5MWE TCE 0.01393 0.41356 11.4286
86 2ET1 GLV 0.00005587 0.42669 11.6402
87 4GJY OGA 0.01319 0.41922 12.6984
88 5UQD AKG 0.0151 0.4107 12.6984
89 5HES 032 0.006569 0.405 12.6984
90 4MSG 2C6 0.01825 0.40144 12.6984
91 3MMH SME 0.00004297 0.45905 14.9701
92 5H2U 1N1 0.007955 0.40115 16.4021
93 4D52 GIV 0.00491 0.43743 16.9312
94 4D52 GXL 0.007223 0.427 16.9312
95 1ULE GLA GAL NAG 0.000771 0.46824 18
96 5FIT AP2 0.002012 0.40668 18.3673
97 1Z03 OCH 0.000829 0.47589 19.5767
98 4MN7 SME 0.0005941 0.47104 30.8725
99 5W10 CMP 0.000000000002788 0.8036 39.1534
100 1YKD CMP 0.000000002703 0.66421 48.1481
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