MolNFT v1 · #51788 · protein
Crystal structure of the D270A mutant of L-alanine dehydrogenase from mycobacterium tuberculosis in complex with NADH.
2VHV: “Crystal structure of the D270A mutant of L-alanine dehydrogenase from mycobacterium tuberculosis in complex…”. X-ray diffraction, 1 ligand (NAI), 7 pockets (best druggability 0.70). MolNFT v1 #51788 on GenesisL1: 3D structure…
- PDB
- 2VHV
- Type
- protein
- Length
- 742 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alanine dehydrogenase
- EC
- 1.4.1.1
- UniProt
- P30234
- Ligands
- NAI
- Pockets
- 7 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 43% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alanine dehydrogenase (EC 1.4.1.1) | protein | 371 | 43% helix, 18% strand | P30234 |
Ligands and binding sites
- NAI · 1,4-dihydronicotinamide adenine dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 302 | 0.70 | 0.84 | 45 | NAI |
| 2 | 316 | 0.70 | 0.83 | 52 | NAI |
| 3 | 104 | 0.42 | 0.77 | 22 | empty |
| 4 | 90 | 0.38 | 0.76 | 19 | empty |
| 5 | 66 | 0.37 | 0.78 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1826 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 2VHV · Crystal structure of the D270A mutant of L-alanine dehydrogenase from Mycobacterium… · 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 P30234
- Elsewhere: RCSB PDB 2VHV · PDBe 2VHV · UniProt P30234
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