MolNFT v1 · #151767 · protein
Structure of ATP citrate lyase from chlorobium limicola in complex with citrate and coenzyme a.
6HXJ · ATP-citrate lyase beta-subunit: “Structure of ATP citrate lyase from chlorobium limicola in complex with citrate and coenzyme a.”. X-ray diffraction, 1 ligand (COA), 20 pockets (best druggability 0.77). MolNFT v1 #151767 on…
- PDB
- 6HXJ
- Type
- protein
- Length
- 3,661 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ATP-citrate lyase beta-subunit; ATP-citrate lyase alpha-subunit
- UniProt
- Q9AQH6, Q9AJC4
- Ligands
- COA
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 7 distinct chains · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ATP-citrate lyase beta-subunit | protein | 336 | 37% helix, 27% strand | Q9AQH6 |
| B | ATP-citrate lyase alpha-subunit | protein | 589 | 46% helix, 15% strand | Q9AJC4 |
| C | ATP-citrate lyase beta-subunit | protein | 324 | 40% helix, 25% strand | Q9AQH6 |
| D, H | ATP-citrate lyase alpha-subunit | protein | 591 | 46% helix, 15% strand | Q9AJC4 |
| E | ATP-citrate lyase beta-subunit | protein | 320 | 38% helix, 24% strand | Q9AQH6 |
| F | ATP-citrate lyase alpha-subunit | protein | 588 | 46% helix, 15% strand | Q9AJC4 |
| G | ATP-citrate lyase beta-subunit | protein | 322 | 39% helix, 25% strand | Q9AQH6 |
Ligands and binding sites
- COA · Coenzyme A · ligand · 8 copies · chains B, A, H, D, E, F, G
- FLC · Citrate anion · additive · 8 copies · chains A, B, F, C, D, H, E, G
- PGE · Triethylene glycol · additive · 5 copies · chains B, C, D, F, H
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains B, D, F, C
- PG4 · Tetraethylene glycol · additive · 2 copies · chains C, B, D, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1183 | 0.77 | 0.79 | 106 | FLC |
| 2 | 1182 | 0.75 | 0.78 | 117 | FLC, TRS |
| 3 | 746 | 0.75 | 0.80 | 78 | FLC |
| 4 | 488 | 0.70 | 0.80 | 57 | FLC |
| 5 | 53 | 0.68 | 0.97 | 20 | empty |
Interfaces
13 interfaces between chains.
- D–F · 3950 Ų buried · 54 hydrogen bonds · protein-protein
- B–H · 3918 Ų buried · 49 hydrogen bonds · protein-protein
- D–H · 2765 Ų buried · 22 hydrogen bonds · protein-protein
- F–H · 2718 Ų buried · 37 hydrogen bonds · protein-protein
- B–F · 2676 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 6HXJ · Structure of ATP citrate lyase from Chlorobium limicola in complex with citrate and… · 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 Q9AQH6
- Every structure of UniProt Q9AJC4
- Elsewhere: RCSB PDB 6HXJ · PDBe 6HXJ · UniProt Q9AQH6 · UniProt Q9AJC4
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