MolNFT v1 · #134768 · protein
Tev cleaved human ATP citrate lyase bound to 4S hydroxycitrate
5TET · ATP-citrate synthase: “Tev cleaved human ATP citrate lyase bound to 4S hydroxycitrate”. X-ray diffraction, 2 ligands (7A3, PO4), 6 pockets (best druggability 0.82). MolNFT v1 #134768 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5TET
- Type
- protein
- Length
- 742 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-citrate synthase
- EC
- 2.3.3.8
- UniProt
- P53396
- Ligands
- 7A3, PO4
- Pockets
- 6 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATP-citrate synthase (EC 2.3.3.8) | protein | 418 | 37% helix, 26% strand | P53396 |
| B | ATP-citrate synthase (EC 2.3.3.8) | protein | 324 | 35% helix, 20% strand | P53396 |
Ligands and binding sites
- 7A3 · 3-C-carboxy-2-deoxy-D-erythro-pentaric acid · ligand · chains A, B
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1039 | 0.82 | 0.83 | 122 | PO4, GOL |
| 2 | 287 | 0.75 | 0.88 | 46 | 7A3, PO4 |
| 3 | 69 | 0.51 | 0.85 | 16 | empty |
| 4 | 89 | 0.50 | 0.83 | 21 | empty |
| 5 | 170 | 0.48 | 0.77 | 30 | empty |
Interfaces
1 interface between chains.
- A–B · 2312 Ų buried · 39 hydrogen bonds · protein-protein
Compared structures
- P53396 · AlphaFold monomer V2.0 prediction for ATP-citrate synthase (P53396) · a predicted model of the same protein · chain B 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 P53396
- Elsewhere: RCSB PDB 5TET · PDBe 5TET · UniProt P53396
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