MolNFT v1 · #76328 · protein
Crystal structure of a putative oxidoreductase from mycobacterium avium 104
3QHA: “Crystal structure of a putative oxidoreductase from mycobacterium avium 104”. X-ray diffraction, 4 pockets (best druggability 0.69). MolNFT v1 #76328 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3QHA
- Type
- protein
- Length
- 555 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative oxidoreductase
- EC
- 1.1.-.-
- UniProt
- A0QAQ2
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative oxidoreductase (EC 1.1.-.-) | protein | 277 | 54% helix, 14% strand | A0QAQ2 |
| B | Putative oxidoreductase (EC 1.1.-.-) | protein | 278 | 55% helix, 14% strand | A0QAQ2 |
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 530 | 0.69 | 0.79 | 60 | empty |
| 2 | 507 | 0.68 | 0.78 | 51 | empty |
| 3 | 95 | 0.39 | 0.76 | 16 | empty |
| 4 | 80 | 0.38 | 0.77 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 3943 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 3QHA · Crystal structure of a Putative oxidoreductase from Mycobacterium avium 104 · 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 A0QAQ2
- Elsewhere: RCSB PDB 3QHA · PDBe 3QHA · UniProt A0QAQ2
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