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MolNFT v1 · #109318 · protein

Crystal structure of P. aeruginosa ampc

4WZ4 · Beta-lactamase: “Crystal structure of P. aeruginosa ampc”. X-ray diffraction, 1 ligand (3VU), 2 pockets (best druggability 0.58). MolNFT v1 #109318 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4WZ4
Type
protein
Length
360 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-lactamase
EC
3.5.2.6
UniProt
P24735
Ligands
3VU
Pockets
2 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-lactamase (EC 3.5.2.6)protein36043% helix, 23% strandP24735

Ligands and binding sites

  • 3VU · {(3R)-6-[(3-amino-1,2,4-thiadiazol-5-yl)oxy]-1-hydroxy-4,5-dimethyl-1,3-dihydro-2,1-benzoxaborol-3-yl}acetic acid · ligand · chains A
  • GOL · Glycerol · additive · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13130.580.77413VU
2750.330.7514empty

Modifications

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

Compared structures

  • 4WZ4 · Crystal structure of P. aeruginosa AmpC · the same entry in another collection · chain A against A, TM-score 1.00
  • P24735 · AlphaFold monomer V2.0 prediction for beta-lactamase (P24735) · a predicted model of the same protein · chain A against A, TM-score 1.00

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