MolNFT v1 · #157675 · protein

Oxa-23 mutant F110A/M221A low pH form meropenem complex

6N6V · Beta-lactamase: “Oxa-23 mutant F110A/M221A low pH form meropenem complex”. X-ray diffraction, 1 ligand (KE1), 2 pockets (best druggability 0.37). MolNFT v1 #157675 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6N6V
Type: protein
Length: 230 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactamase
EC: 3.5.2.6
UniProt: Q9L4P2
Ligands: KE1
Pockets: 2 · best druggability 0.37

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-lactamase (EC 3.5.2.6)	protein	230	38% helix, 23% strand	Q9L4P2

Ligands and binding sites

KE1 · meropenem, bound form · ligand · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	85	0.37	0.76	17	empty
2	74	0.28	0.72	17	KE1

Modifications

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

Compared structures

6N6V · OXA-23 mutant F110A/M221A low pH form meropenem complex · 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 Q9L4P2
Elsewhere: RCSB PDB 6N6V · PDBe 6N6V · UniProt Q9L4P2

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