Receptor
PDB id Resolution Class Description Source Keywords
2QIE 2.5 Å NON-ENZYME: OTHER STAPHYLOCOCCUS AUREUS MOLYBDOPTERIN SYNTHASE IN COMPLEX WITH Z STAPHYLOCOCCUS AUREUS MOLYBDOPTERIN MOCO MPT SYNTHASE MOAD MOAE TRANSFERASE MOLYBDENUM COFACTOR BIOSYNTHESIS BETA-GRASP (UBIQUITIN-LIKBETA HAMMERHEAD FOLD
Ref.: CRYSTAL STRUCTURE OF A MOLYBDOPTERIN SYNTHASE-PRECU COMPLEX: INSIGHT INTO ITS SULFUR TRANSFER MECHANISM ROLE IN MOLYBDENUM COFACTOR DEFICIENCY. BIOCHEMISTRY V. 47 615 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
8CS A:501;
E:501;
H:501;
K:501;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
345.205 C10 H12 N5 O7 P C1[C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2QIE 2.5 Å NON-ENZYME: OTHER STAPHYLOCOCCUS AUREUS MOLYBDOPTERIN SYNTHASE IN COMPLEX WITH Z STAPHYLOCOCCUS AUREUS MOLYBDOPTERIN MOCO MPT SYNTHASE MOAD MOAE TRANSFERASE MOLYBDENUM COFACTOR BIOSYNTHESIS BETA-GRASP (UBIQUITIN-LIKBETA HAMMERHEAD FOLD
Ref.: CRYSTAL STRUCTURE OF A MOLYBDOPTERIN SYNTHASE-PRECU COMPLEX: INSIGHT INTO ITS SULFUR TRANSFER MECHANISM ROLE IN MOLYBDENUM COFACTOR DEFICIENCY. BIOCHEMISTRY V. 47 615 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 2QIE - 8CS C10 H12 N5 O7 P C1[C@@H]2[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 2QIE - 8CS C10 H12 N5 O7 P C1[C@@H]2[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 2QIE - 8CS C10 H12 N5 O7 P C1[C@@H]2[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 8CS; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 8CS 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: 8CS; Similar ligands found: 12
No: Ligand Similarity coefficient
1 CMP 0.8841
2 0HY 0.8771
3 35G 0.8699
4 ADN 0.8671
5 TAL 0.8659
6 PCG 0.8608
7 9KL 0.8600
8 P9L 0.8596
9 0J2 0.8586
10 SP1 0.8585
11 FMC 0.8556
12 14X 0.8554
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2QIE; Ligand: 8CS; 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: 2qie.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2QIE; Ligand: 8CS; 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: 2qie.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2QIE; Ligand: 8CS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2qie.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2QIE; Ligand: 8CS; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2qie.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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