MolNFT v1 · #158633 · protein
Structural determination of the carboxy-terminal portion of ATP- citrate lyase
6NZY · ATP-citrate lyase alpha-subunit: “Structural determination of the carboxy-terminal portion of ATP- citrate lyase”. X-ray diffraction, 3 ligands (ACO, NA, PO4), 13 pockets (best druggability 0.68). MolNFT v1 #158633 on GenesisL1: 3D…
- PDB
- 6NZY
- Type
- protein
- Length
- 1,035 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-citrate lyase alpha-subunit
- UniProt
- Q9AJC4
- Ligands
- ACO, NA, PO4
- Pockets
- 13 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 56% helix, 7% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATP-citrate lyase alpha-subunit | protein | 262 | 55% helix, 7% strand | Q9AJC4 |
| B, D | ATP-citrate lyase alpha-subunit | protein | 258 | 56% helix, 7% strand | Q9AJC4 |
| C | ATP-citrate lyase alpha-subunit | protein | 257 | 57% helix, 7% strand | Q9AJC4 |
Ligands and binding sites
- ACO · Acetyl coenzyme *A · ligand · 2 copies · chains A, D
- NA · Sodium ion · metal · 8 copies · chains A, C, D, B
- PO4 · Phosphate ion · ion · 4 copies · chains A, B, C, D
- GOL · Glycerol · additive · 14 copies · chains A, D, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 528 | 0.68 | 0.78 | 43 | PO4, GOL |
| 2 | 539 | 0.66 | 0.77 | 42 | PO4 |
| 3 | 462 | 0.64 | 0.77 | 40 | PO4, GOL |
| 4 | 466 | 0.63 | 0.77 | 39 | PO4, GOL |
| 5 | 118 | 0.41 | 0.76 | 22 | empty |
Interfaces
6 interfaces between chains.
- A–C · 3622 Ų buried · 48 hydrogen bonds · protein-protein
- B–D · 3595 Ų buried · 46 hydrogen bonds · protein-protein
- A–D · 2342 Ų buried · 37 hydrogen bonds · protein-protein
- B–C · 2310 Ų buried · 36 hydrogen bonds · protein-protein
- A–B · 1419 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 6NZY · Structural Determination of the Carboxy-terminal portion of ATP-citrate lyase · 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 Q9AJC4
- Elsewhere: RCSB PDB 6NZY · PDBe 6NZY · UniProt Q9AJC4
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