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Acinetobacter baumanii OXA-24 complex with Avibactam

Analyse Acinetobacter baumanii OXA-24 complex with Avibactam in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4WM9
Type: protein
Length: 243 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.4
Source: Acinetobacter baumannii
Molecule: Beta-lactamase
UniProt: Q8RLA6
Ligands: NXL, SO4, CO2
Pockets: 1 · best druggability 0.46

Structure

x-ray diffraction · resolution 2.4 · 1 distinct chain · 40% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-lactamase	protein	243	40% helix, 21% strand	Q8RLA6

Ligands and binding sites

NXL · (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide · ligand · chains A
SO4 · Sulfate ion · ion · chains A
CO2 · Carbon dioxide · ion · chains A
EDO · 1,2-ethanediol · additive · 5 copies · 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	186	0.46	0.75	28	NXL

Modifications

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

Compared structures

4WM9 · Acinetobacter baumanii oxa-24 complex with avibactam · 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 Q8RLA6
Elsewhere: RCSB PDB 4WM9 · PDBe 4WM9 · UniProt Q8RLA6

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