Receptor
PDB id Resolution Class Description Source Keywords
1G0H 2.3 Å EC: 3.1.3.25 CRYSTAL STRUCTURE OF MJ0109 GENE PRODUCT INOSITOL MONOPHOSPHATASE-FRUCTOSE 1,6 BISPHOSPHATASE METHANOCALDOCOCCUS JANNASCHII HOMODIMER COMPLEXED WITH CA2+ AND I-1-P HYDROLASE
Ref.: CRYSTAL STRUCTURE AND CATALYTIC MECHANISM OF THE MJ0109 GENE PRODUCT: A BIFUNCTIONAL ENZYME WITH INOSITOL MONOPHOSPHATASE AND FRUCTOSE 1,6-BISPHOSPHATASE ACTIVITIES. BIOCHEMISTRY V. 40 618 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:290;
A:291;
B:590;
B:591;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
IPD A:292;
B:592;
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
1G0H 2.3 Å EC: 3.1.3.25 CRYSTAL STRUCTURE OF MJ0109 GENE PRODUCT INOSITOL MONOPHOSPHATASE-FRUCTOSE 1,6 BISPHOSPHATASE METHANOCALDOCOCCUS JANNASCHII HOMODIMER COMPLEXED WITH CA2+ AND I-1-P HYDROLASE
Ref.: CRYSTAL STRUCTURE AND CATALYTIC MECHANISM OF THE MJ0109 GENE PRODUCT: A BIFUNCTIONAL ENZYME WITH INOSITOL MONOPHOSPHATASE AND FRUCTOSE 1,6-BISPHOSPHATASE ACTIVITIES. BIOCHEMISTRY V. 40 618 2001
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1G0H - IPD C6 H11 O9 P [C@H]1([C@....
2 1G0I - INS C6 H12 O6 C1(C(C(C(C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1G0H - IPD C6 H11 O9 P [C@H]1([C@....
2 1G0I - INS C6 H12 O6 C1(C(C(C(C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1G0H - IPD C6 H11 O9 P [C@H]1([C@....
2 1G0I - INS C6 H12 O6 C1(C(C(C(C....
3 1LBY - F6P C6 H13 O9 P C([C@@H]1[....
4 1LBX - IPD C6 H11 O9 P [C@H]1([C@....
5 1LBZ - FBP C6 H14 O12 P2 C([C@@H]1[....
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 : 1G0H; Ligand: IPD; 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: 1g0h.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1G0H; Ligand: IPD; 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: 1g0h.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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