MolNFT v1 · #75071 · protein
Truncated human ATP-citrate lyase with ADP and tartrate bound
3PFF · ATP-citrate synthase: “Truncated human ATP-citrate lyase with ADP and tartrate bound”. X-ray diffraction, 2 ligands (ADP, MG), 5 pockets (best druggability 0.73). MolNFT v1 #75071 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3PFF
- Type
- protein
- Length
- 735 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-citrate synthase
- EC
- 2.3.3.8
- UniProt
- P53396
- Ligands
- ADP, MG
- Pockets
- 5 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATP-citrate synthase (EC 2.3.3.8) | protein | 735 | 36% helix, 24% strand | P53396 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A
- TLA · L(+)-tartaric acid · additive · chains A
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 | 884 | 0.73 | 0.77 | 94 | TLA |
| 2 | 396 | 0.70 | 0.82 | 53 | MG, ADP |
| 3 | 87 | 0.64 | 0.90 | 21 | empty |
| 4 | 160 | 0.48 | 0.77 | 28 | empty |
| 5 | 56 | 0.34 | 0.78 | 18 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
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 3PFF · PDBe 3PFF · UniProt P53396
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