Receptor
PDB id Resolution Class Description Source Keywords
3L8G 2.18 Å EC: 3.1.3.- CRYSTAL STRUCTURE OF D,D-HEPTOSE 1.7-BISPHOSPHATE PHOSPHATAS COLI COMPLEXED WITH D-GLYCERO-D-MANNO-HEPTOSE 1 ,7-BISPHOSP ESCHERICHIA COLI HAD SUPERFAMILY GMHB D-GLYCERO-D-MANNO-HEPTOSE-1 7-BISPHOPHOSPHATASE CARBOHYDRATE METABOLISM CYTOPLASM HYDROLASELIPOPOLYSACCHARIDE BIOSYNTHESIS
Ref.: STRUCTURAL DETERMINANTS OF SUBSTRATE RECOGNITION IN SUPERFAMILY MEMBER D-GLYCERO-D-MANNO-HEPTOSE-1,7-BISPHOSPHATE PHOSPHAT (GMHB) . BIOCHEMISTRY V. 49 1082 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GMB A:3523;
Valid;
none;
submit data
370.142 C7 H16 O13 P2 C([C@...
MG A:188;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
NA A:190;
Part of Protein;
none;
submit data
22.99 Na [Na+]
ZN A:189;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3L8G 2.18 Å EC: 3.1.3.- CRYSTAL STRUCTURE OF D,D-HEPTOSE 1.7-BISPHOSPHATE PHOSPHATAS COLI COMPLEXED WITH D-GLYCERO-D-MANNO-HEPTOSE 1 ,7-BISPHOSP ESCHERICHIA COLI HAD SUPERFAMILY GMHB D-GLYCERO-D-MANNO-HEPTOSE-1 7-BISPHOPHOSPHATASE CARBOHYDRATE METABOLISM CYTOPLASM HYDROLASELIPOPOLYSACCHARIDE BIOSYNTHESIS
Ref.: STRUCTURAL DETERMINANTS OF SUBSTRATE RECOGNITION IN SUPERFAMILY MEMBER D-GLYCERO-D-MANNO-HEPTOSE-1,7-BISPHOSPHATE PHOSPHAT (GMHB) . BIOCHEMISTRY V. 49 1082 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 3L8G - GMB C7 H16 O13 P2 C([C@@H]([....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3L8G - GMB C7 H16 O13 P2 C([C@@H]([....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 3L8G - GMB C7 H16 O13 P2 C([C@@H]([....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GMB; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 GMB 1 1
2 M7P 0.576923 0.97561
3 M1P 0.433962 0.928571
4 XGP 0.433962 0.928571
5 GL1 0.433962 0.928571
6 G1P 0.433962 0.928571
7 RI2 0.410714 0.860465
8 R1P 0.403846 0.840909
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3L8G; Ligand: GMB; 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: 3l8g.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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