Research workbench
Three dimensional structure analysis of the type II citrate synthase from E.COLI
Analyse Three dimensional structure analysis of the type II citrate synthase from E.COLI in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4G6B
- Type
- protein
- Length
- 852 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Citrate synthase
- EC
- 2.3.3.1
- UniProt
- P0ABH7
- Ligands
- SO4
- Pockets
- 12 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Citrate synthase (EC 2.3.3.1) | protein | 426 | 45% helix, 10% strand | P0ABH7 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 849 | 0.77 | 0.81 | 78 | SO4 |
| 2 | 766 | 0.77 | 0.81 | 84 | SO4 |
| 3 | 195 | 0.59 | 0.81 | 23 | empty |
| 4 | 112 | 0.58 | 0.85 | 26 | empty |
| 5 | 183 | 0.56 | 0.80 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 6379 Ų buried · 117 hydrogen bonds · protein-protein
Compared structures
- 4G6B · Three dimensional structure analysis of the type II citrate synthase from e.coli · the same entry in another collection · chain A against A, TM-score 1.00
- P0ABH7 · AlphaFold monomer V2.0 prediction for citrate synthase (P0ABH7) · a predicted model of the same protein · chain A against A, TM-score 0.93
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 P0ABH7
- Elsewhere: RCSB PDB 4G6B · PDBe 4G6B · UniProt P0ABH7
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