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MolNFT v1 · #127569 · protein

Crystal structure of ndm-1 in complex with beta-mercaptoethanol - new refinement

5N0I: “Crystal structure of ndm-1 in complex with beta-mercaptoethanol - new refinement”. X-ray diffraction, 2 ligands (ZN, CL). MolNFT v1 #127569 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5N0I
Type
protein
Length
472 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
C7C422
Ligands
ZN, CL

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein232—C7C422
B—protein240—C7C422

Ligands and binding sites

  • ZN · Zinc ion · metal · 4 copies · chains A, B
  • CL · Chloride ion · ion · chains B
  • GOL · Glycerol · additive · 3 copies · chains A, B
  • BME · Beta-mercaptoethanol · additive · 2 copies · chains A, B
  • PG4 · Tetraethylene glycol · additive · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 5N0I · Crystal structure of NDM-1 in complex with beta-mercaptoethanol - new refinement · the same entry in another collection · chain A against A, TM-score 1.00
  • C7C422 · AlphaFold monomer V2.0 prediction for metallo-beta-lactamase type 2 (C7C422) · a predicted model of the same protein · chain A against A, TM-score 0.97

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