Research workbench
Biotin protein ligase R40G mutant from aquifex aeolicus in complex with biotin
Analyse Biotin protein ligase R40G mutant from aquifex aeolicus in complex with biotin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3EFR
- Type
- protein
- Length
- 466 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
- BTN, SO4
- Pockets
- 5 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Biotin [acetyl-CoA-carboxylase] ligase (EC 6.3.4.15) | protein | 233 | 27% helix, 33% strand | O66837 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 566 | 0.77 | 0.84 | 76 | BTN |
| 2 | 447 | 0.71 | 0.81 | 62 | BTN, SO4 |
| 3 | 58 | 0.35 | 0.78 | 13 | empty |
| 4 | 63 | 0.29 | 0.74 | 14 | empty |
| 5 | 57 | 0.29 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 952 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 3EFR · Biotin protein ligase R40G mutant from Aquifex aeolicus in complex with biotin · the same entry in another collection · chain B against B, 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 3EFR · PDBe 3EFR · UniProt O66837
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