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MolNFT v1 · #27062 · protein

The mono-zinc carbapenemase cpha (N220G mutant) shows a ZN(II)- NH2 arg coordination

1X8H · Beta-lactamase: “The mono-zinc carbapenemase cpha (N220G mutant) shows a ZN(II)- NH2 arg coordination”. X-ray diffraction, 3 ligands (ZN, SO4, CO3), 1 pocket (best druggability 0.63). MolNFT v1 #27062 on GenesisL1: 3D structure…

PDB
1X8H
Type
protein
Length
227 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-lactamase
EC
3.5.2.6
UniProt
P26918
Ligands
ZN, SO4, CO3
Pockets
1 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 30% helix, 25% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-lactamase (EC 3.5.2.6)protein22730% helix, 25% strandP26918

Ligands and binding sites

  • ZN · Zinc ion · metal · chains A
  • SO4 · Sulfate ion · ion · 3 copies · chains A
  • CO3 · Carbonate ion · ion · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12700.630.8126ZN, CO3

Compared structures

  • 1X8H · The Mono-Zinc Carbapenemase CphA (N220G mutant) Shows a Zn(II)- NH2 ARG Coordination · the same entry in another collection · chain A against A, TM-score 1.00
  • P26918 · AlphaFold monomer V2.0 prediction for metallo-beta-lactamase type 2 (P26918) · a predicted model of the same protein · chain A against A, TM-score 1.00

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