Receptor
PDB id Resolution Class Description Source Keywords
4MUS 1.68 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF VANCOMYCIN RESISTANCE D,D-DIPEPTIDASE/D PENTAPEPTIDASE VANXYC D59S MUTANT IN COMPLEX WITH D-ALA-D-AP HOSPHINATE ANALOG ENTEROCOCCUS GALLINARUM CENTER FOR STRUCTURAL GENOMICS OF INFECTIOUS DISEASES CSGIDNATIONAL INSTITUTE OF ALLERGY AND INFECTIOUS DISEASES NIAIALPHA+BETA PROTEIN METALLOPEPTIDASE HEDGEHOG/DD-PEPTIDASEMEROPS M15B SUBFAMILY ZN2+-DEPENDENT DD-DIPEPTIDASE ZN2+DEPENDENT DD-PENTAPEPTIDASE ANTIBIOTIC RESISTANCE VANCOMRESISTANCE HYDROLASE
Ref.: STRUCTURAL BASIS FOR THE EVOLUTION OF VANCOMYCIN RE D,D-PEPTIDASES. PROC.NATL.ACAD.SCI.USA V. 111 5872 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:201;
A:201;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
GOL A:205;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
LY0 B:202;
A:203;
Valid;
Valid;
none;
none;
submit data
195.153 C6 H14 N O4 P C[C@@...
2D8 A:202;
B:203;
Valid;
Valid;
none;
none;
submit data
195.153 C6 H14 N O4 P C[C@@...
SO4 A:204;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
CL A:206;
Invalid;
none;
submit data
35.453 Cl [Cl-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4MUS 1.68 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF VANCOMYCIN RESISTANCE D,D-DIPEPTIDASE/D PENTAPEPTIDASE VANXYC D59S MUTANT IN COMPLEX WITH D-ALA-D-AP HOSPHINATE ANALOG ENTEROCOCCUS GALLINARUM CENTER FOR STRUCTURAL GENOMICS OF INFECTIOUS DISEASES CSGIDNATIONAL INSTITUTE OF ALLERGY AND INFECTIOUS DISEASES NIAIALPHA+BETA PROTEIN METALLOPEPTIDASE HEDGEHOG/DD-PEPTIDASEMEROPS M15B SUBFAMILY ZN2+-DEPENDENT DD-DIPEPTIDASE ZN2+DEPENDENT DD-PENTAPEPTIDASE ANTIBIOTIC RESISTANCE VANCOMRESISTANCE HYDROLASE
Ref.: STRUCTURAL BASIS FOR THE EVOLUTION OF VANCOMYCIN RE D,D-PEPTIDASES. PROC.NATL.ACAD.SCI.USA V. 111 5872 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 4MUS - LY0 C6 H14 N O4 P C[C@@H](C[....
2 4MUT - DAL C3 H7 N O2 C[C@H](C(=....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 4MUS - LY0 C6 H14 N O4 P C[C@@H](C[....
2 4MUT - DAL C3 H7 N O2 C[C@H](C(=....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 173 families.
1 4MUS - LY0 C6 H14 N O4 P C[C@@H](C[....
2 4MUT - DAL C3 H7 N O2 C[C@H](C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LY0; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 2D8 1 1
2 LY0 1 1
3 AEP 0.594595 0.842105
4 P8D 0.552632 0.914286
5 PHY 0.5 0.8
Ligand no: 2; Ligand: 2D8; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 2D8 1 1
2 LY0 1 1
3 AEP 0.594595 0.842105
4 P8D 0.552632 0.914286
5 PHY 0.5 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4MUS; Ligand: 2D8; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 4mus.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5ZHW DAL DAL 44.5498
Pocket No.: 2; Query (leader) PDB : 4MUS; Ligand: LY0; Similar sites found with APoc: 2
This union binding pocket(no: 2) in the query (biounit: 4mus.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5ZHW DAL DAL 44.5498
2 6A6A DAL 44.5498
Pocket No.: 3; Query (leader) PDB : 4MUS; Ligand: LY0; 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: 4mus.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4MUS; Ligand: 2D8; 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: 4mus.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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