MolNFT v1 · #12227 · protein
L-histidinol dehydrogenase (hisd) structure complexed with L-histidine (product), zn and NAD (cofactor)
1KAH: “L-histidinol dehydrogenase (hisd) structure complexed with L-histidine (product), zn and NAD (cofactor)”. X-ray diffraction, 2 ligands (HIS, ZN), 5 pockets (best druggability 0.86). MolNFT v1 #12227 on GenesisL1: 3D structure…
- PDB
- 1KAH
- Type
- protein
- Length
- 865 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histidinol dehydrogenase
- EC
- 1.1.1.23
- UniProt
- P06988
- Ligands
- HIS, ZN
- Pockets
- 5 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Histidinol dehydrogenase (EC 1.1.1.23) | protein | 431 | 49% helix, 17% strand | P06988 |
| B | Histidinol dehydrogenase (EC 1.1.1.23) | protein | 434 | 48% helix, 17% strand | P06988 |
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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 929 | 0.86 | 0.88 | 104 | HIS |
| 2 | 210 | 0.72 | 0.88 | 38 | HIS |
| 3 | 118 | 0.56 | 0.84 | 21 | empty |
| 4 | 82 | 0.43 | 0.79 | 20 | empty |
| 5 | 59 | 0.38 | 0.80 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 5263 Ų buried · 92 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 13 modified (engineered).
Compared structures
- 1KAH · L-histidinol dehydrogenase (hisd) structure complexed with L-histidine (product), zn and… · the same entry in another collection · chain A against A, TM-score 1.00
- P06988 · AlphaFold monomer V2.0 prediction for histidinol dehydrogenase (P06988) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P06988
- Elsewhere: RCSB PDB 1KAH · PDBe 1KAH · UniProt P06988
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