MolNFT v1 · #109518 · protein

Structure of the class D beta-lactamase oxa-160 V130D in acyl-enzyme complex with aztreonam

4X53: “Structure of the class D beta-lactamase oxa-160 V130D in acyl-enzyme complex with aztreonam”. X-ray diffraction, 2 ligands (AZR, BCT), 1 pocket (best druggability 0.34). MolNFT v1 #109518 on GenesisL1: 3D structure, binding sites…

PDB: 4X53
Type: protein
Length: 243 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Class D beta-lactamase oxa-160
UniProt: D2XKK9
Ligands: AZR, BCT
Pockets: 1 · best druggability 0.34

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Class D beta-lactamase oxa-160	protein	243	40% helix, 22% strand	D2XKK9

Ligands and binding sites

AZR · 2-({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-oxo-2-{[(2S, 3S)-1-oxo-3-(sulfoamino)butan-2-yl]amino}ethylidene]amino}oxy)-2-methylpropanoic acid · ligand · chains A
BCT · Bicarbonate ion · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	89	0.34	0.74	21	empty

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

4X53 · Structure of the class D Beta-Lactamase OXA-160 V130D in Acyl-Enzyme Complex with… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt D2XKK9
Elsewhere: RCSB PDB 4X53 · PDBe 4X53 · UniProt D2XKK9

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.