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MolNFT v2 · #210345 · protein

Crystal Structure of Acetyl-CoA synthetase in complex with a propyne ester AMP inhibitor from Cryptococcus neoformans H99

8G0V: “Crystal Structure of Acetyl-CoA synthetase in complex with a propyne ester AMP inhibitor from Cryptococcus…”. X-ray diffraction at 1.9, 2 ligands (YHT, PO4). MolNFT v2 #210345 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
8G0V
Type
protein
Length
1,996 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.9
Source
Cryptococcus neoformans
UniProt
A0A854QMN0
Ligands
YHT, PO4

Structure

x-ray diffraction · resolution 1.9 · 3 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein666—A0A854QMN0
B—protein665—A0A854QMN0
C—protein665—A0A854QMN0

Ligands and binding sites

  • YHT · 5'-O-{(S)-hydroxy[(prop-2-yn-1-yl)oxy]phosphoryl}adenosine · ligand · 3 copies · chains A, B, C
  • PO4 · Phosphate ion · ion · chains B
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A, C, B

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

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