MolNFT v1 · #56488 · protein
Crystal structure of biotin protein ligase from pyrococcus horikoshii complexed with adenosine and biotin, mutations R48A and K111A
2ZGW · Biotin--[acetyl-CoA-carboxylase] ligase: “Crystal structure of biotin protein ligase from pyrococcus horikoshii complexed with adenosine and biotin…”. X-ray diffraction, 2 ligands (ADN, BTN), 6 pockets (best druggability 0.67).…
- 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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