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Receptor
PDB id Resolution Class Description Source Keywords
1V7R 1.4 Å EC: 3.6.1.19 STRUCTURE OF NUCLEOTIDE TRIPHOSPHATE PYROPHOSPHATASE FROM PY HORIKOSHII OT3 PYROCOCCUS HORIKOSHII NTPASE STRUCTURAL GENOMICS RIKEN STRUCTURAL GENOMICS/PROTEINITIATIVE RSGI HYDROLASE
Ref.: STRUCTURES OF DIMERIC NONSTANDARD NUCLEOTIDE TRIPHO PYROPHOSPHATASE FROM PYROCOCCUS HORIKOSHII OT3: FUN SIGNIFICANCE OF INTERPROTOMER CONFORMATIONAL CHANGE J.MOL.BIOL. V. 375 1013 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CIT A:1200;
Valid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1V7R 1.4 Å EC: 3.6.1.19 STRUCTURE OF NUCLEOTIDE TRIPHOSPHATE PYROPHOSPHATASE FROM PY HORIKOSHII OT3 PYROCOCCUS HORIKOSHII NTPASE STRUCTURAL GENOMICS RIKEN STRUCTURAL GENOMICS/PROTEINITIATIVE RSGI HYDROLASE
Ref.: STRUCTURES OF DIMERIC NONSTANDARD NUCLEOTIDE TRIPHO PYROPHOSPHATASE FROM PYROCOCCUS HORIKOSHII OT3: FUN SIGNIFICANCE OF INTERPROTOMER CONFORMATIONAL CHANGE J.MOL.BIOL. V. 375 1013 2008
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2DVO - ITT C10 H15 N4 O14 P3 c1nc2c(c(n....
2 2DVN - IMP C10 H13 N4 O8 P c1nc2c(n1[....
3 1V7R - CIT C6 H8 O7 C(C(=O)O)C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2DVO - ITT C10 H15 N4 O14 P3 c1nc2c(c(n....
2 2DVN - IMP C10 H13 N4 O8 P c1nc2c(n1[....
3 1V7R - CIT C6 H8 O7 C(C(=O)O)C....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2DVO - ITT C10 H15 N4 O14 P3 c1nc2c(c(n....
2 2DVN - IMP C10 H13 N4 O8 P c1nc2c(n1[....
3 1V7R - CIT C6 H8 O7 C(C(=O)O)C....
4 2MJP - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CIT; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 CIT 1 1
2 7QD 0.653846 0.958333
3 HCA 0.576923 0.884615
4 MAH 0.44 0.807692
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1V7R; Ligand: CIT; Similar sites found with APoc: 64
This union binding pocket(no: 1) in the query (biounit: 1v7r.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
1 1FDQ HXA None
2 2GJ5 VD3 None
3 5HZ5 65X None
4 1WUB OTP None
5 2HZQ STR None
6 4R38 RBF 2.14286
7 5BU3 4W9 2.17391
8 3PE2 E1B 2.68817
9 1ERB ETR 2.73224
10 3N0Y APC 2.7933
11 2ZSC BTN 2.83688
12 4EKV BTN 3.14465
13 1U0A BGC BGC BGC BGC 3.22581
14 2P7Q GG6 3.7594
15 5JSP DQY 3.76344
16 2QM9 TDZ 3.87097
17 5J75 6GQ 4.30108
18 4GGZ BTN 4.34783
19 3EW2 BTN 4.44444
20 5BVS EIC 4.54545
21 5A65 TPP 4.83871
22 3ZGJ RMN 4.83871
23 4J25 OGA 4.83871
24 4JNJ BTN 5.21739
25 5BVT PAM 5.22388
26 5D48 L96 5.26316
27 3PFG TLO 5.37634
28 3PFG SAM 5.37634
29 1SQI 869 5.37634
30 2ZYI STE 5.37634
31 2WPU KYT 5.66038
32 3RDO BTN 5.88235
33 2NNQ T4B 6.10687
34 3X00 ZOF ZOF EDN 6.12245
35 3X00 ZOF EDN ZOF 6.12245
36 2GQS C2R 6.45161
37 5I0U DCY 6.45161
38 3RGA LSB 6.98925
39 1ZB6 GST 6.98925
40 1ZB6 DIN 6.98925
41 4BX7 B4F 7.03125
42 1SWG BTN 7.03125
43 4CPH LH4 7.08661
44 2F01 BTN 7.08661
45 2F01 BTQ 7.08661
46 5DX9 T6P 7.52688
47 3IS2 FAD 7.79221
48 1J3R 6PG 8.06452
49 2GC0 PAN 8.60215
50 6MPT C30 8.60215
51 1MH5 HAL 9.13978
52 5UC4 83S 9.67742
53 5Y72 DST 9.67742
54 1LNM DTX 10.3261
55 3T2W BTN 10.6557
56 3FW9 SLX 12.3656
57 1H2K OGA 12.9032
58 3FW4 CAQ 12.9213
59 5KEW 6SB 13.8298
60 4BJ8 BTN 15.0794
61 3KH5 ADP 16.129
62 3KH5 AMP 16.129
63 6HDT BTN 19.5489
64 4Z28 BTN 20.1493
Pocket No.: 2; Query (leader) PDB : 1V7R; Ligand: CIT; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1v7r.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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