MolNFT v1 · #71359 · protein

Oxa-24 beta-lactamase complex soaked with 10MM SA4-17 inhibitor for 15MIN

3MBZ · Betalactamase OXA24: “Oxa-24 beta-lactamase complex soaked with 10MM SA4-17 inhibitor for 15MIN”. X-ray diffraction, 2 ligands (MXC, SO4), 1 pocket (best druggability 0.39). MolNFT v1 #71359 on GenesisL1: 3D structure, binding sites…

PDB: 3MBZ
Type: protein
Length: 244 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Betalactamase OXA24
EC: 3.5.2.6
UniProt: Q8RLA6
Ligands: MXC, SO4
Pockets: 1 · best druggability 0.39

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Betalactamase OXA24 (EC 3.5.2.6)	protein	244	41% helix, 21% strand	Q8RLA6

Ligands and binding sites

MXC · (2S,3R)-2-[(7-aminocarbonyl-2-methanoyl-indolizin-3-yl)amino]-4-aminocarbonyloxy-3-methyl-3-sulfino-butanoic acid · ligand · chains A
SO4 · Sulfate ion · ion · 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	123	0.39	0.74	22	MXC

Modifications

Observed in the structure: 1 covalent, 1 modified (covalent ligand, carboxylation).

Compared structures

3MBZ · OXA-24 beta-lactamase complex soaked with 10mM SA4-17 inhibitor for 15min · 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 3MBZ · PDBe 3MBZ · UniProt Q8RLA6

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