Research workbench
Crystal structure of biotin protein ligase from pyrococcus horikoshii complexed with adenosine and biotin, mutations R48A and K111A
Analyse Crystal structure of biotin protein ligase from pyrococcus horikoshii complexed… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2ZGW
- Type
- protein
- Length
- 469 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Biotin--[acetyl-CoA-carboxylase] ligase
- UniProt
- O57883
- Ligands
- ADN, BTN
- Pockets
- 6 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 26% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Biotin--[acetyl-CoA-carboxylase] ligase | protein | 235 | 26% helix, 30% strand | O57883 |
| B | Biotin--[acetyl-CoA-carboxylase] ligase | protein | 234 | 26% helix, 29% strand | O57883 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 58 | 0.67 | 0.96 | 23 | BTN |
| 2 | 265 | 0.60 | 0.80 | 46 | ADN, BTN |
| 3 | 183 | 0.52 | 0.78 | 29 | empty |
| 4 | 99 | 0.42 | 0.77 | 18 | empty |
| 5 | 91 | 0.40 | 0.77 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1033 Ų buried · 27 hydrogen bonds · protein-protein
Compared structures
- 2ZGW · Crystal Structure Of Biotin Protein Ligase From Pyrococcus Horikoshii Complexed 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 O57883
- Elsewhere: RCSB PDB 2ZGW · PDBe 2ZGW · UniProt O57883
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