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MolNFT v1 · #151771 · protein

Structure of the citryl-CoA lyase core module of chlorobium limicola ATP citrate lyase (space group P3121)

6HXN · ATP-citrate lyase alpha-subunit: “Structure of the citryl-CoA lyase core module of chlorobium limicola ATP citrate lyase (space group P3121)”. X-ray diffraction, 2 ligands (COA, SO4), 5 pockets (best druggability 0.61). MolNFT v1…

PDB
6HXN
Type
protein
Length
512 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
ATP-citrate lyase alpha-subunit
UniProt
Q9AJC4
Ligands
COA, SO4
Pockets
5 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 55% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BATP-citrate lyase alpha-subunitprotein25655% helix, 4% strandQ9AJC4

Ligands and binding sites

  • COA · Coenzyme A · ligand · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13440.610.7833SO4
23260.600.7833SO4
32170.520.7625empty
41920.480.7525empty
5620.300.7311empty

Interfaces

1 interface between chains.

  • A–B · 1532 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 6HXN · Structure of the citryl-CoA lyase core module of Chlorobium limicola ATP citrate lyase… · the same entry in another collection · chain A against A, TM-score 1.00

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