MolNFT v1 · #86122 · protein

Q157A mutant. crystal structure of the mobile metallo-beta-lactamase aim-1 from pseudomonas aeruginosa: insights into antibiotic binding and the role of GLN157

4AX0: “Q157A mutant. crystal structure of the mobile metallo-beta-lactamase aim-1 from pseudomonas aeruginosa…”. X-ray diffraction, 2 ligands (ZN, CA), 1 pocket (best druggability 0.49). MolNFT v1 #86122 on GenesisL1: 3D structure, binding…

PDB: 4AX0
Type: protein
Length: 270 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Metallo-beta-lactamase aim-1
UniProt: B5DCA0
Ligands: ZN, CA
Pockets: 1 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B	Metallo-beta-lactamase aim-1	protein	270	30% helix, 22% strand	B5DCA0

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains B
CA · Calcium ion · metal · 2 copies · chains B
ACT · Acetate ion · additive · chains B

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	116	0.49	0.80	35	ZN

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

4AX0 · Q157A mutant. Crystal Structure of the Mobile Metallo-beta-Lactamase AIM-1 from… · the same entry in another collection · chain B against B, 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 B5DCA0
Elsewhere: RCSB PDB 4AX0 · PDBe 4AX0 · UniProt B5DCA0

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