MolNFT v1 · #62706 · protein
Structure of pig heart citrate synthase at 1.78 a resolution
3ENJ: “Structure of pig heart citrate synthase at 1.78 a resolution”. X-ray diffraction, 3 ligands (CYS, CL, SO4), 4 pockets (best druggability 0.54). MolNFT v1 #62706 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3ENJ
- Type
- protein
- Length
- 437 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Citrate synthase
- EC
- 2.3.3.1
- UniProt
- P00889
- Ligands
- CYS, CL, SO4
- Pockets
- 4 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 62% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Citrate synthase (EC 2.3.3.1) | protein | 437 | 62% helix, 4% strand | P00889 |
Ligands and binding sites
- CYS · Cysteine · ligand · chains A
- CL · Chloride ion · ion · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 251 | 0.54 | 0.77 | 32 | CL |
| 2 | 161 | 0.43 | 0.74 | 24 | empty |
| 3 | 96 | 0.32 | 0.72 | 17 | empty |
| 4 | 67 | 0.31 | 0.74 | 16 | empty |
Compared structures
- 3ENJ · Structure of Pig Heart Citrate Synthase at 1.78 A resolution · the same entry in another collection · chain A against A, TM-score 1.00
- P00889 · AlphaFold monomer V2.0 prediction for citrate synthase, mitochondrial (P00889) · a predicted model of the same protein · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P00889
- Elsewhere: RCSB PDB 3ENJ · PDBe 3ENJ · UniProt P00889
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