MolNFT v1 · #26391 · protein
Crystal structure of biotin-(acetyl-CoA-carboxylase) ligase from pyrococcus horikoshii OT3 in complex with ADP
1WNL · Biotin--[acetyl-CoA-carboxylase] ligase: “Crystal structure of biotin-(acetyl-CoA-carboxylase) ligase from pyrococcus horikoshii OT3 in complex with ADP”. X-ray diffraction, 1 ligand (ADP), 5 pockets (best druggability 0.64). MolNFT…
- PDB
- 1WNL
- Type
- protein
- Length
- 470 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
- O57883
- Ligands
- ADP
- Pockets
- 5 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 26% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Biotin--[acetyl-CoA-carboxylase] ligase (EC 6.3.4.15) | protein | 235 | 26% helix, 31% strand | O57883 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
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 | 220 | 0.64 | 0.83 | 40 | ADP, GOL |
| 2 | 249 | 0.62 | 0.81 | 43 | ADP, GOL |
| 3 | 93 | 0.41 | 0.77 | 19 | empty |
| 4 | 125 | 0.39 | 0.74 | 31 | empty |
| 5 | 80 | 0.33 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1062 Ų buried · 24 hydrogen bonds · protein-protein
Compared structures
- 1WNL · Crystal Structure Of Biotin-(Acetyl-CoA-Carboxylase) ligase From Pyrococcus Horikoshii… · 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 1WNL · PDBe 1WNL · UniProt O57883
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