MolNFT v1 · #181062 · protein
Structure of human ATP citrate lyase in complex with acetyl-CoA and oxaloacetate
7LJ9 · ATP-citrate synthase: “Structure of human ATP citrate lyase in complex with acetyl-CoA and oxaloacetate”. Electron microscopy, 2 ligands (OAA, ACO), 20 pockets (best druggability 0.74). MolNFT v1 #181062 on GenesisL1: 3D structure…
- PDB
- 7LJ9
- Type
- protein
- Length
- 1,865 residues
- Chains
- 4
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-citrate synthase
- EC
- 2.3.3.8
- UniProt
- P53396
- Ligands
- OAA, ACO
- Pockets
- 20 · best druggability 0.74
Structure
electron microscopy · 2 distinct chains · 42% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | ATP-citrate synthase (EC 2.3.3.8) | protein | 279 | 55% helix, 3% strand | P53396 |
| D | ATP-citrate synthase (EC 2.3.3.8) | protein | 1028 | 39% helix, 16% strand | P53396 |
Ligands and binding sites
- OAA · Oxaloacetate ion · ligand · 5 copies · chains A, B, C, D
- ACO · Acetyl coenzyme *A · ligand · chains B, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 856 | 0.74 | 0.78 | 72 | OAA, ACO |
| 2 | 70 | 0.69 | 0.94 | 22 | empty |
| 3 | 675 | 0.68 | 0.76 | 64 | empty |
| 4 | 409 | 0.68 | 0.80 | 48 | OAA |
| 5 | 418 | 0.68 | 0.80 | 50 | OAA |
Interfaces
6 interfaces between chains.
- B–D · 3801 Ų buried · 26 hydrogen bonds · protein-protein
- A–C · 3349 Ų buried · 24 hydrogen bonds · protein-protein
- C–D · 2209 Ų buried · 37 hydrogen bonds · protein-protein
- A–B · 2092 Ų buried · 25 hydrogen bonds · protein-protein
- A–D · 1873 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 7LJ9 · Structure of human ATP citrate lyase in complex with acetyl-CoA and oxaloacetate · the same entry in another collection · chain D against D, TM-score 1.00
- P53396 · AlphaFold monomer V2.0 prediction for ATP-citrate synthase (P53396) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 7LJ9 · PDBe 7LJ9 · UniProt P53396
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.