Research workbench
Mycobacterium tuberculosis L-alanine dehydrogenase x-ray structure in complex with N6-isobutyl adenosine
Analyse Mycobacterium tuberculosis L-alanine dehydrogenase x-ray structure in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6O7F
- Type
- protein
- Length
- 371 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.303
- Source
- Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
- Molecule
- Alanine dehydrogenase
- EC
- 1.4.1.1
- UniProt
- P9WQB1
- Ligands
- NKV
- Pockets
- 1 · best druggability 0.72
Structure
x-ray diffraction · resolution 2.303 · 1 distinct chain · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alanine dehydrogenase (EC 1.4.1.1) | protein | 371 | 42% helix, 17% strand | P9WQB1 |
Ligands and binding sites
- NKV · N-(2-methylpropanoyl)adenosine · ligand · chains A
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 | 596 | 0.72 | 0.80 | 83 | NKV |
Compared structures
- 6O7F · Mycobacterium tuberculosis L-alanine dehydrogenase X-ray structure in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P9WQB1 · AlphaFold monomer V2.0 prediction for alanine dehydrogenase (P9WQB1) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P9WQB1
- Elsewhere: RCSB PDB 6O7F · PDBe 6O7F · UniProt P9WQB1
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