MolNFT v1 · #172583 · protein

Structure of G132S blac from mycobacterium tuberculosis bound to the trans-enamine adduct of sulbactam

7A72 · Beta-lactamase: “Structure of G132S blac from mycobacterium tuberculosis bound to the trans-enamine adduct of sulbactam”. X-ray diffraction, 1 ligand (TSL), 1 pocket (best druggability 0.38). MolNFT v1 #172583 on GenesisL1: 3D…

PDB: 7A72
Type: protein
Length: 266 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-lactamase
EC: 3.5.2.6
UniProt: A0A655AHQ9
Ligands: TSL
Pockets: 1 · best druggability 0.38

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-lactamase (EC 3.5.2.6)	protein	266	46% helix, 17% strand	A0A655AHQ9

Ligands and binding sites

TSL · Trans-enamine intermediate of sulbactam · ligand · chains A
GOL · Glycerol · additive · 3 copies · chains A
ACT · Acetate ion · additive · 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	103	0.38	0.76	21	TSL, ACT

Modifications

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

Compared structures

7A72 · Structure of G132S BlaC from Mycobacterium tuberculosis bound to the trans-enamine adduct… · 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 A0A655AHQ9
Elsewhere: RCSB PDB 7A72 · PDBe 7A72 · UniProt A0A655AHQ9

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