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MolNFT v1 · #124648 · protein

Crystal structure of a putative acyl-CoA thioesterase EC709/ECK0725 from escherichia COLI in complex with CoA

5KL9: “Crystal structure of a putative acyl-CoA thioesterase EC709/ECK0725 from escherichia COLI in complex with CoA”. X-ray diffraction, 2 ligands (COA, SO4). MolNFT v1 #124648 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5KL9
Type
protein
Length
522 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P0A8Z5
Ligands
COA, SO4

Structure

x-ray diffraction · 3 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein134—P0A8Z5
B—protein130—P0A8Z5
C, D—protein129—P0A8Z5

Ligands and binding sites

  • COA · Coenzyme A · ligand · 2 copies · chains A, D
  • SO4 · Sulfate ion · ion · 5 copies · chains A, B, C, D
  • GOL · Glycerol · additive · 3 copies · chains A, D

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

Compared structures

  • 5KL9 · Crystal structure of a putative acyl-CoA thioesterase EC709/ECK0725 from Escherichia coli… · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A8Z5 · AlphaFold monomer V2.0 prediction for acyl-CoA thioester hydrolase ybgc (P0A8Z5) · a predicted model of the same protein · chain C against A, TM-score 0.99

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