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Ctx-M-9 class a beta-lactamase complexed with compound 6 (3G3)

Analyse Ctx-M-9 class a beta-lactamase complexed with compound 6 (3G3) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3G32
Type: protein
Length: 524 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactamase ctx-M-9A
EC: 3.5.2.6
UniProt: Q9L5C8
Ligands: 3G3, PO4
Pockets: 2 · best druggability 0.35

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Beta-lactamase ctx-M-9A (EC 3.5.2.6)	protein	262	44% helix, 19% strand	Q9L5C8

Ligands and binding sites

3G3 · 2-[2-(1H-tetrazol-5-yl)ethyl]-1H-isoindole-1,3(2H)-dione · ligand · 3 copies · chains A, B
PO4 · Phosphate ion · ion · chains B
DMS · Dimethyl sulfoxide · additive · 6 copies · chains A, B

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	87	0.35	0.76	21	3G3, PO4
2	96	0.34	0.74	22	3G3, DMS

Interfaces

1 interface between chains.

A–B · 78 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

3G32 · CTX-M-9 class A beta-lactamase complexed with compound 6 (3G3) · 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 Q9L5C8
Elsewhere: RCSB PDB 3G32 · PDBe 3G32 · UniProt Q9L5C8

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