MolNFT v1 · #27580 · protein
Biotin and propionyl-CoA bound to acyl-CoA carboxylase beta subunit from S. coelicolor (pccb)
1XNY · Propionyl-CoA carboxylase complex B subunit: “Biotin and propionyl-CoA bound to acyl-CoA carboxylase beta subunit from S. coelicolor (pccb)”. X-ray diffraction, 2 ligands (1VU, BTN), 12 pockets (best druggability 0.72). MolNFT v1…
- PDB
- 1XNY
- Type
- protein
- Length
- 1,042 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Propionyl-CoA carboxylase complex B subunit
- EC
- 6.4.1.3
- UniProt
- Q9X4K7
- Ligands
- 1VU, BTN
- Pockets
- 12 · best druggability 0.72
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Propionyl-CoA carboxylase complex B subunit (EC 6.4.1.3) | protein | 521 | 45% helix, 18% strand | Q9X4K7 |
Ligands and binding sites
- 1VU · propionyl Coenzyme A · ligand · 2 copies · chains A, B
- BTN · Biotin · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 58 | 0.72 | 0.99 | 25 | empty |
| 2 | 530 | 0.67 | 0.77 | 54 | 1VU, BTN |
| 3 | 507 | 0.66 | 0.77 | 48 | BTN, 1VU |
| 4 | 158 | 0.52 | 0.79 | 30 | empty |
| 5 | 53 | 0.45 | 0.84 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 4759 Ų buried · 73 hydrogen bonds · protein-protein
Compared structures
- 1XNY · Biotin and propionyl-CoA bound to Acyl-CoA Carboxylase Beta Subunit from S. coelicolor… · 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 Q9X4K7
- Elsewhere: RCSB PDB 1XNY · PDBe 1XNY · UniProt Q9X4K7
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