MolNFT v1 · #67144 · protein
Crystal structure of pyridoxal kinase from lactobacillus plantarum in complex with ATP
3IBQ: “Crystal structure of pyridoxal kinase from lactobacillus plantarum in complex with ATP”. X-ray diffraction, 2 ligands (ATP, MG), 1 pocket (best druggability 0.75). MolNFT v1 #67144 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3IBQ
- Type
- protein
- Length
- 272 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Pyridoxal kinase
- EC
- 2.7.1.35
- UniProt
- Q88YB5
- Ligands
- ATP, MG
- Pockets
- 1 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Pyridoxal kinase (EC 2.7.1.35) | protein | 272 | 40% helix, 22% strand | Q88YB5 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 685 | 0.75 | 0.80 | 61 | ATP, MG |
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 3IBQ · Crystal structure of pyridoxal kinase from Lactobacillus plantarum in complex with ATP · 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 Q88YB5
- Elsewhere: RCSB PDB 3IBQ · PDBe 3IBQ · UniProt Q88YB5
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