Research workbench
Crystal structure of the carboxyltransferase subunit of acc (ACCD6) in complex with inhibitor haloxyfop from mycobacterium tuberculosis
Analyse Crystal structure of the carboxyltransferase subunit of acc (ACCD6) in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4G2R
- Type
- protein
- Length
- 881 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ACCD6, carboxyltransferase beta-subunit of acyl-CoA carboxylase
- EC
- 6.4.1.3
- UniProt
- P63407
- Ligands
- H1L
- Pockets
- 8 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ACCD6, carboxyltransferase beta-subunit of acyl-CoA carboxylase (EC 6.4.1.3) | protein | 440 | 43% helix, 22% strand | P63407 |
| B | ACCD6, carboxyltransferase beta-subunit of acyl-CoA carboxylase (EC 6.4.1.3) | protein | 441 | 43% helix, 23% strand | P63407 |
Ligands and binding sites
- H1L · (2R)-2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid · ligand · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1062 | 0.81 | 0.82 | 88 | empty |
| 2 | 661 | 0.79 | 0.83 | 86 | H1L |
| 3 | 529 | 0.78 | 0.84 | 63 | H1L |
| 4 | 86 | 0.45 | 0.81 | 28 | empty |
| 5 | 84 | 0.43 | 0.80 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 2788 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 4G2R · Crystal Structure of the carboxyltransferase subunit of ACC (AccD6) in complex with… · 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 P63407
- Elsewhere: RCSB PDB 4G2R · PDBe 4G2R · UniProt P63407
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