Receptor
PDB id Resolution Class Description Source Keywords
3V0H 1.85 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF CIONA INTESTINALIS VOLTAGE SENSOR-CONTA PHOSPHATASE (CI-VSP), RESIDUES 241-576(C363S), COMPLEXED WII NOSITOL-1,4,5-TRIPHOSPHATE CIONA INTESTINALIS PTP C2 PHOSPHATASE HYDROLASE
Ref.: A GLUTAMATE SWITCH CONTROLS VOLTAGE-SENSITIVE PHOSP FUNCTION. NAT.STRUCT.MOL.BIOL. V. 19 633 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
I3P A:1;
A:2;
B:3;
B:4;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
420.096 C6 H15 O15 P3 [C@H]...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3V0H 1.85 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF CIONA INTESTINALIS VOLTAGE SENSOR-CONTA PHOSPHATASE (CI-VSP), RESIDUES 241-576(C363S), COMPLEXED WII NOSITOL-1,4,5-TRIPHOSPHATE CIONA INTESTINALIS PTP C2 PHOSPHATASE HYDROLASE
Ref.: A GLUTAMATE SWITCH CONTROLS VOLTAGE-SENSITIVE PHOSP FUNCTION. NAT.STRUCT.MOL.BIOL. V. 19 633 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 3V0H - I3P C6 H15 O15 P3 [C@H]1([C@....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 3V0H - I3P C6 H15 O15 P3 [C@H]1([C@....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 143 families.
1 3V0H - I3P C6 H15 O15 P3 [C@H]1([C@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: I3P; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 I3P 1 1
2 I3S 1 1
3 4IP 0.724138 0.966667
4 2IP 0.692308 1
5 I0P 0.678571 0.966667
6 ITP 0.655172 1
7 I4P 0.653846 0.933333
8 IP2 0.642857 1
9 5MY 0.6 0.933333
10 IP5 0.6 0.933333
11 5IP 0.6 0.933333
12 I5P 0.6 0.933333
13 I4D 0.566667 0.966667
14 IBS 0.511111 0.789474
15 I6P 0.481481 0.933333
16 IHP 0.481481 0.933333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3V0H; Ligand: I3P; 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: 3v0h.bio2) has 4 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3V0H; Ligand: I3P; Similar sites found: 35
This union binding pocket(no: 2) in the query (biounit: 3v0h.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3HVJ 705 0.04071 0.40883 1.35747
2 5IXJ THR 0.01843 0.422 1.47493
3 3GCZ SAM 0.01668 0.40955 2.12766
4 2OG2 MLI 0.00758 0.43108 2.94985
5 4X1Z FUC GAL NDG 0.009726 0.4037 3.01205
6 2BJK NAD 0.04147 0.40738 3.24484
7 2X2T GAL NGA 0.005264 0.43039 3.26797
8 3B9Q MLI 0.01646 0.41066 3.31126
9 5A0R ACE GLU VAL ASN PRO 0.031 0.40619 3.53535
10 3F6R FMN 0.02187 0.4017 4.05405
11 4KYQ FLC 0.00001927 0.45929 4.32692
12 1JDC GLC GLC GLC GLC 0.02377 0.40503 4.42478
13 5KQG 6VX 0.00008314 0.47758 4.49438
14 1PA9 CSN 0.000001943 0.52147 4.57746
15 3KAP FMN 0.02957 0.4001 4.7619
16 4YC7 GNP 0.02883 0.40068 4.97238
17 5I34 GDP 0.002983 0.4036 5.30973
18 3T1O GDP 0.01027 0.41427 5.55556
19 1NVT NAP 0.03229 0.40255 6.48968
20 1U26 IHS 0.000005387 0.57797 6.82493
21 5M3E APR 0.03733 0.40188 7.27273
22 4J51 N75 0.00009724 0.47431 10.1227
23 3O5X JZG 0.0000682 0.47025 10.1449
24 1ZSQ PIB 0.00001572 0.56834 10.6195
25 3O2Q PRO THR SEP PRO SER TYR 0.0007542 0.47798 10.6195
26 2H04 4UN 0.000005368 0.58416 10.8626
27 1D1Q 4NP 0.000008849 0.56248 11.8012
28 2QXX TTP 0.01758 0.41343 12.6316
29 4WOH 4NP 0.0000003574 0.50842 12.6506
30 3F81 STT 0.000002436 0.61818 16.3934
31 2CJZ PTR 0.0000007296 0.54404 17.0492
32 2IMG MLT 0.000004001 0.58235 19.8675
33 1FIQ SAL 0.04783 0.4019 21.0046
34 1FIQ MTE 0.04546 0.4009 21.0046
35 3RGQ 5P5 0.000006007 0.56734 25.641
Pocket No.: 3; Query (leader) PDB : 3V0H; Ligand: I3P; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3v0h.bio1) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3V0H; Ligand: I3P; Similar sites found: 3
This union binding pocket(no: 4) in the query (biounit: 3v0h.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GWN GTP 0.0274 0.4002 3.41463
2 4J75 TYM 0.0414 0.40072 5.30973
3 1N62 FAD 0.04765 0.40788 10.241
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