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 312 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 261 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 214 families.
1 1I9Z - 2IP C6 H14 O12 P2 [C@@H]1([C....
Polypharmacology
Similar Ligands (2D)
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 ALX 0.405405 0.707317
19 BNX 0.405405 0.707317
Similar Ligands (3D)
Ligand no: 1; Ligand: 2IP; Similar ligands found: 6
No: Ligand Similarity coefficient
1 NG6 0.9111
2 BIH 0.8955
3 3UG 0.8791
4 AQN 0.8754
5 M3F 0.8609
6 SGN 0.8598
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1I9Z; Ligand: 2IP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1i9z.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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