Receptor
PDB id Resolution Class Description Source Keywords
1I9Z 1.8 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF INOSITOL POLYPHOSPHATE 5-PHOSPHATASE DOMAIN (IPP5C) OF SPSYNAPTOJANIN IN COMPLEX WITH INOSITOL ( 1,4)-BISPHOSPHATE AND CALCIUM ION SCHIZOSACCHAROMYCES POMBE SPSYNAPTOJANIN IPP5C IP3 IP2 HYDROLASE
Ref.: SPECIFICITY DETERMINANTS IN PHOSPHOINOSITIDE DEPHOSPHORYLATION: CRYSTAL STRUCTURE OF AN ARCHETYPAL INOSITOL POLYPHOSPHATE 5-PHOSPHATASE. CELL(CAMBRIDGE,MASS.) V. 105 379 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2IP A:302;
Valid;
none;
submit data
340.116 C6 H14 O12 P2 [C@@H...
CA A:301;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1I9Z 1.8 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF INOSITOL POLYPHOSPHATE 5-PHOSPHATASE DOMAIN (IPP5C) OF SPSYNAPTOJANIN IN COMPLEX WITH INOSITOL ( 1,4)-BISPHOSPHATE AND CALCIUM ION SCHIZOSACCHAROMYCES POMBE SPSYNAPTOJANIN IPP5C IP3 IP2 HYDROLASE
Ref.: SPECIFICITY DETERMINANTS IN PHOSPHOINOSITIDE DEPHOSPHORYLATION: CRYSTAL STRUCTURE OF AN ARCHETYPAL INOSITOL POLYPHOSPHATE 5-PHOSPHATASE. CELL(CAMBRIDGE,MASS.) V. 105 379 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 1I9Z - 2IP C6 H14 O12 P2 [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 1I9Z - 2IP C6 H14 O12 P2 [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 1I9Z - 2IP C6 H14 O12 P2 [C@@H]1([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2IP; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 2IP 1 1
2 I4D 0.782609 0.966667
3 I3P 0.692308 1
4 I3S 0.692308 1
5 ITP 0.68 1
6 I4P 0.608696 0.933333
7 IP2 0.6 1
8 I0P 0.576923 0.966667
9 4IP 0.571429 0.966667
10 IHP 0.545455 0.933333
11 I6P 0.545455 0.933333
12 5IP 0.5 0.933333
13 I5P 0.5 0.933333
14 IP5 0.5 0.933333
15 5MY 0.5 0.933333
16 IPD 0.413793 0.870968
17 LIP 0.413793 0.870968
18 BNX 0.405405 0.707317
19 ALX 0.405405 0.707317
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1I9Z; Ligand: 2IP; Similar sites found: 19
This union binding pocket(no: 1) in the query (biounit: 1i9z.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1W6U NAP 0.0344 0.40291 2.31788
2 4PVD NDP 0.02679 0.4028 2.33918
3 3SSO SAH 0.02776 0.41157 2.88184
4 2Q2V NAD 0.01019 0.43363 3.13725
5 1MDB AMP DBH 0.01178 0.42361 3.17003
6 5L3S GNP 0.01045 0.41904 3.71622
7 5JFL NAD 0.03797 0.40229 3.81679
8 5IQD GNP 0.02232 0.41023 3.93443
9 5IQD RIO 0.02316 0.41023 3.93443
10 4M0R 644 0.01329 0.44641 4.03458
11 4DVE BTN 0.03538 0.40357 4.0404
12 4ZV1 ARG 0.00747 0.42016 4.72103
13 1V84 GAL NDG 0.008433 0.40704 4.74308
14 4PSB GA3 0.01544 0.42578 5.16129
15 1N2A GTS 0.01179 0.42108 5.47264
16 2Y4N DLL 0.02785 0.40858 5.76369
17 5ISY NAD 0.004385 0.45082 7.33591
18 1W0J ADP BEF 0.02001 0.40068 12.3919
19 4A9C B5F 0.0008915 0.4136 44.9367
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