Receptor
PDB id Resolution Class Description Source Keywords
1AWB 2.5 Å EC: 3.1.3.25 HUMAN MYO-INOSITOL MONOPHOSPHATASE IN COMPLEX WITH D-INOSITO PHOSPHATE AND CALCIUM HOMO SAPIENS HYDROLASE MYO-INOSITOL PHOSPHATASE
Ref.: STRUCTURE OF AN ENZYME-SUBSTRATE COMPLEX AND THE CA MECHANISM OF HUMAN BRAIN MYO-INOSITOL MONOPHOSPHATA PROTEIN ENG. V. 10 61 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1;
A:278;
A:279;
B:278;
B:279;
B:280;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
CL A:280;
B:281;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
IPD A:281;
B:1;
Valid;
Valid;
none;
none;
submit data
258.12 C6 H11 O9 P [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6GIU 1.39 Å EC: 3.1.3.25 HUMAN IMPASE WITH L-690330 HOMO SAPIENS IMPASE COMPLEX LITHIUM HYDROLASE
Ref.: CO-CRYSTALLIZATION OF HUMAN INOSITOL MONOPHOSPHATAS THE LITHIUM MIMETIC L-690,330. ACTA CRYSTALLOGR D STRUCT V. 74 973 2018 BIOL
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1IMA - IPD C6 H11 O9 P [C@H]1([C@....
2 1IMB - LIP C6 H11 O9 P [C@H]1([C@....
3 1AWB - IPD C6 H11 O9 P [C@H]1([C@....
4 6GIU - L69 C8 H12 O8 P2 CC(Oc1ccc(....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1IMA - IPD C6 H11 O9 P [C@H]1([C@....
2 1IMB - LIP C6 H11 O9 P [C@H]1([C@....
3 1AWB - IPD C6 H11 O9 P [C@H]1([C@....
4 6GIU - L69 C8 H12 O8 P2 CC(Oc1ccc(....
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 1IMA - IPD C6 H11 O9 P [C@H]1([C@....
2 1IMB - LIP C6 H11 O9 P [C@H]1([C@....
3 1AWB - IPD C6 H11 O9 P [C@H]1([C@....
4 6GIU - L69 C8 H12 O8 P2 CC(Oc1ccc(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IPD; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 LIP 1 1
2 IPD 1 1
3 I4D 0.571429 0.9
4 ITP 0.451613 0.870968
5 IP2 0.433333 0.870968
6 2IP 0.413793 0.870968
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6GIU; Ligand: L69; 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: 6giu.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6GIU; Ligand: L69; 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: 6giu.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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