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MolNFT v1 · #166962 · protein

Crystal structure of ctx-M-14 E166A/D240G beta-lactamase

6V6P: “Crystal structure of ctx-M-14 E166A/D240G beta-lactamase”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.32). MolNFT v1 #166962 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6V6P
Type
protein
Length
263 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-lactamase
EC
3.5.2.6
UniProt
Q9L5C7
Ligands
SO4
Pockets
1 · best druggability 0.32

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-lactamase (EC 3.5.2.6)protein26343% helix, 19% strandQ9L5C7

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains A
  • PEG · Di(hydroxyethyl)ether · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1800.320.7419SO4

Compared structures

  • 6V6P · Crystal structure of CTX-M-14 E166A/D240G beta-lactamase · the same entry in another collection · chain A against A, TM-score 1.00

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