Receptor
PDB id Resolution Class Description Source Keywords
5awv 1.93 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF GLYCOPEPTIDE HEXOSE OXIDASE DBV29 COMPL TEICOPLANIN NONOMURAEA SP. ATCC 39727 OXIDOREDUCTASE-ANTIBIOTIC COMPLEX
Ref.: INTERCEPTION OF TEICOPLANIN OXIDATION INTERMEDIATES NEW ANTIMICROBIAL SCAFFOLDS. NAT. CHEM. BIOL. V. 7 304 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN I:1;
J:1;
 Valid;
Valid;
 none;
none;
 submit data
1564.27 n/a Clc1c...
CIT D:602;
A:602;
B:603;
C:602;
O:105;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
 submit data
192.124 C6 H8 O7 C(C(=...
FAD D:601;
B:601;
A:601;
C:601;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
GHP 3MY 3FG GHP GHP OMY 3FG M:1;
J:1;
L:1;
I:1;
N:1;
K:1;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
 submit data
1211.03 n/a Clc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5AWV 1.93 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF GLYCOPEPTIDE HEXOSE OXIDASE DBV29 COMPL TEICOPLANIN NONOMURAEA SP. ATCC 39727 OXIDOREDUCTASE-ANTIBIOTIC COMPLEX
Ref.: INTERCEPTION OF TEICOPLANIN OXIDATION INTERMEDIATES NEW ANTIMICROBIAL SCAFFOLDS. NAT. CHEM. BIOL. V. 7 304 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 5AWV - GHP 3MY 3FG GHP GHP OMY 3FG n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 337 families.
1 5AWV - GHP 3MY 3FG GHP GHP OMY 3FG n/a n/a
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 225 families.
1 2Y3S - TIR C22 H29 N O6 C[C@H]1[C@....
2 2Y3R - TIR C22 H29 N O6 C[C@H]1[C@....
3 2Y4G - TIR C22 H29 N O6 C[C@H]1[C@....
4 5AWV - GHP 3MY 3FG GHP GHP OMY 3FG n/a n/a
5 2IPI - AKY C42 H53 N O15 CC[C@]1(C[....
6 3PQB - VGP C27 H28 O9 C[C@H]([C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN; Similar ligands found: 6
Ligand no: 2; Ligand: GHP 3MY 3FG GHP GHP OMY 3FG; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 GHP 3MY 3FG GHP GHP OMY 3FG 1 1
2 GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 0.416 0.785714
Similar Ligands (3D)
Ligand no: 1; Ligand: GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: GHP 3MY 3FG GHP GHP OMY 3FG; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5AWV; Ligand: GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN; 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: 5awv.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5AWV; Ligand: GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN; 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: 5awv.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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