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MolNFT v1 · #136650 · protein

Crystal structure of citrate synthase from homo sapiens

5UZR · Citrate synthase, mitochondrial: “Crystal structure of citrate synthase from homo sapiens”. X-ray diffraction, 1 ligand (CL), 8 pockets (best druggability 0.70). MolNFT v1 #136650 on GenesisL1: 3D structure, binding sites and…

PDB
5UZR
Type
protein
Length
869 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Citrate synthase, mitochondrial
EC
2.3.3.1
UniProt
O75390
Ligands
CL
Pockets
8 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 63% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACitrate synthase, mitochondrial (EC 2.3.3.1)protein43463% helix, 6% strandO75390
DCitrate synthase, mitochondrial (EC 2.3.3.1)protein43563% helix, 7% strandO75390

Ligands and binding sites

  • CL · Chloride ion · ion · 2 copies · chains A, D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15410.700.8054CL
26260.700.7877CL
31810.570.8125empty
41720.560.8126empty
51890.500.7730empty

Interfaces

1 interface between chains.

  • A–D · 4452 Ų buried · 53 hydrogen bonds · protein-protein

Compared structures

  • 5UZR · Crystal structure of citrate synthase from homo sapiens · the same entry in another collection · chain A against A, TM-score 1.00
  • O75390 · AlphaFold monomer V2.0 prediction for citrate synthase, mitochondrial (O75390) · a predicted model of the same protein · chain A against A, TM-score 1.00

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