MolNFT v1 · #142674 · protein
Crystal structure of citrate synthase (MSED_1522) from metallosphaera sedula in complex with citrate
6ABX: “Crystal structure of citrate synthase (MSED_1522) from metallosphaera sedula in complex with citrate”. X-ray diffraction, 7 pockets (best druggability 0.67). MolNFT v1 #142674 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6ABX
- Type
- protein
- Length
- 740 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Citrate synthase
- EC
- 2.3.3.16
- UniProt
- A4YGX6
- Pockets
- 7 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 59% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Citrate synthase (EC 2.3.3.16) | protein | 370 | 59% helix, 6% strand | A4YGX6 |
Ligands and binding sites
- GOL · Glycerol · additive · 3 copies · chains A, B
- FLC · Citrate anion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 305 | 0.67 | 0.82 | 38 | FLC |
| 2 | 438 | 0.66 | 0.78 | 65 | FLC, GOL |
| 3 | 261 | 0.52 | 0.75 | 37 | empty |
| 4 | 126 | 0.43 | 0.76 | 18 | empty |
| 5 | 86 | 0.38 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 4609 Ų buried · 75 hydrogen bonds · protein-protein
Compared structures
- 6ABX · Crystal structure of citrate synthase (Msed_1522) from Metallosphaera sedula in complex… · 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 A4YGX6
- Elsewhere: RCSB PDB 6ABX · PDBe 6ABX · UniProt A4YGX6
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