Research workbench
Chicken citrate synthase complex with trifluoroacetonyl-CoA and citrate
Analyse Chicken citrate synthase complex with trifluoroacetonyl-CoA and citrate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6CSC
- Type
- protein
- Length
- 871 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Citrate synthase
- EC
- 4.1.3.7
- UniProt
- P23007
- Ligands
- COF
- Pockets
- 5 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 61% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Citrate synthase (EC 4.1.3.7) | protein | 437 | 60% helix, 5% strand | P23007 |
| B | Citrate synthase (EC 4.1.3.7) | protein | 434 | 62% helix, 5% strand | P23007 |
Ligands and binding sites
- COF · Trifluoroacetonyl coenzyme A · ligand · 2 copies · chains A, B
- CIT · Citric acid · additive · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 997 | 0.79 | 0.81 | 78 | COF, CIT |
| 2 | 887 | 0.77 | 0.80 | 70 | COF, CIT |
| 3 | 208 | 0.57 | 0.80 | 33 | empty |
| 4 | 175 | 0.45 | 0.75 | 31 | empty |
| 5 | 58 | 0.32 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 4826 Ų buried · 73 hydrogen bonds · protein-protein
Compared structures
- 6CSC · Chicken citrate synthase complex with trifluoroacetonyl-CoA and citrate · the same entry in another collection · 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 P23007
- Elsewhere: RCSB PDB 6CSC · PDBe 6CSC · UniProt P23007
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