Receptor
PDB id Resolution Class Description Source Keywords
6A6A 2.26 Å EC: 3.4.16.4 VANYB IN COMPLEX WITH D-ALANINE ENTEROCOCCUS FAECALIS VANCOMYCIN RESISTANCE PEPTIDASE METALLOPEPTIDASE FAMILY M1HYDROLASE
Ref.: STRUCTURAL BASIS FOR THE SUBSTRATE RECOGNITION OF PEPTIDOGLYCAN PENTAPEPTIDES BY ENTEROCOCCUS FAECALI INT. J. BIOL. MACROMOL. V. 119 335 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN B:305;
A:305;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
PGE A:306;
B:307;
B:306;
A:307;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
150.173 C6 H14 O4 C(COC...
DAL A:301;
B:301;
Valid;
Valid;
none;
none;
submit data
89.093 C3 H7 N O2 C[C@H...
GOL B:303;
A:302;
B:302;
A:303;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ACT A:304;
B:304;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6A6A 2.26 Å EC: 3.4.16.4 VANYB IN COMPLEX WITH D-ALANINE ENTEROCOCCUS FAECALIS VANCOMYCIN RESISTANCE PEPTIDASE METALLOPEPTIDASE FAMILY M1HYDROLASE
Ref.: STRUCTURAL BASIS FOR THE SUBSTRATE RECOGNITION OF PEPTIDOGLYCAN PENTAPEPTIDES BY ENTEROCOCCUS FAECALI INT. J. BIOL. MACROMOL. V. 119 335 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 6A6A - DAL C3 H7 N O2 C[C@H](C(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 6A6A - DAL C3 H7 N O2 C[C@H](C(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 6A6A - DAL C3 H7 N O2 C[C@H](C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DAL; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 ALA 1 1
2 DAL 1 1
3 VAL 0.611111 0.882353
4 ALO 0.578947 0.789474
5 THR 0.578947 0.789474
6 HGY 0.5625 0.666667
7 ABA 0.526316 0.75
8 DBB 0.526316 0.75
9 AKB 0.526316 0.75
10 LEU 0.5 0.681818
11 ILE 0.5 0.714286
12 NVA 0.434783 0.652174
13 VAH 0.434783 0.6
14 C2N 0.428571 0.636364
15 FLA 0.428571 0.636364
16 DCY 0.428571 0.608696
17 CYS 0.428571 0.608696
18 HL5 0.407407 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6A6A; Ligand: DAL; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 6a6a.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4MUQ LY0 42.2222
2 4MUS LY0 44.5498
3 4OX5 DAL 45.4545
Pocket No.: 2; Query (leader) PDB : 6A6A; Ligand: DAL; 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: 6a6a.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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