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MolNFT v1 · #172585 · protein

Structure of G132N blac from mycobacterium tuberculosis

7A74 · Beta-lactamase: “Structure of G132N blac from mycobacterium tuberculosis”. X-ray diffraction, 2 ligands (NA, PO4), 1 pocket (best druggability 0.32). MolNFT v1 #172585 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7A74
Type
protein
Length
267 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-lactamase
EC
3.5.2.6
UniProt
P9WKD3
Ligands
NA, PO4
Pockets
1 · best druggability 0.32

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-lactamase (EC 3.5.2.6)protein26747% helix, 16% strandP9WKD3

Ligands and binding sites

  • NA · Sodium ion · metal · chains A
  • PO4 · Phosphate ion · ion · 2 copies · chains A
  • EDO · 1,2-ethanediol · additive · 16 copies · chains A
  • GOL · Glycerol · additive · 2 copies · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1890.320.7418PO4

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

  • 7A74 · Structure of G132N BlaC from Mycobacterium tuberculosis · the same entry in another collection · chain A against A, TM-score 1.00
  • P9WKD3 · AlphaFold monomer V2.0 prediction for beta-lactamase (P9WKD3) · a predicted model of the same protein · chain A against A, TM-score 0.99

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