GL1X · GenesisL1 explorer

MolNFT v1 · #181524 · protein

Homocitrullinated beta-lactamase oxa-48

7LXG: “Homocitrullinated beta-lactamase oxa-48”. X-ray diffraction, 2 ligands (SO4, CL), 2 pockets (best druggability 0.78). MolNFT v1 #181524 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7LXG
Type
protein
Length
484 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-lactamase
EC
3.5.2.6
UniProt
Q6XEC0
Ligands
SO4, CL
Pockets
2 · best druggability 0.78

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BBeta-lactamase (EC 3.5.2.6)protein24241% helix, 21% strandQ6XEC0

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A, B
  • CL · Chloride ion · ion · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18950.780.81118SO4, CL
2500.360.8017empty

Interfaces

1 interface between chains.

  • A–B · 1022 Ų buried · 19 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (nonstandard).

Compared structures

  • 7LXG · Homocitrullinated beta-lactamase OXA-48 · the same entry in another collection · chain A against A, TM-score 1.00

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