Research workbench
Apo structure of biotin protein ligase from aquifex aeolicus
Analyse Apo structure of biotin protein ligase from aquifex aeolicus in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3FJP
- Type
- protein
- Length
- 440 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Biotin [acetyl-CoA-carboxylase] ligase
- EC
- 6.3.4.15
- UniProt
- O66837
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.46
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Biotin [acetyl-CoA-carboxylase] ligase (EC 6.3.4.15) | protein | 219 | 28% helix, 36% strand | O66837 |
| B | Biotin [acetyl-CoA-carboxylase] ligase (EC 6.3.4.15) | protein | 221 | 28% helix, 34% strand | O66837 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 216 | 0.46 | 0.74 | 30 | empty |
| 2 | 107 | 0.44 | 0.78 | 16 | empty |
| 3 | 154 | 0.42 | 0.74 | 27 | empty |
| 4 | 60 | 0.35 | 0.77 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 553 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3FJP · Apo structure of Biotin protein ligase from Aquifex aeolicus · 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 O66837
- Elsewhere: RCSB PDB 3FJP · PDBe 3FJP · UniProt O66837
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