MolNFT v1 · #144870 · protein
Structure of iron containing alcohol dehydrogenase from thermococcus thioreducens in a monoclinic crystal form
6C75: “Structure of iron containing alcohol dehydrogenase from thermococcus thioreducens in a monoclinic crystal form”. X-ray diffraction, 3 ligands (NAP, ATR, FE), 6 pockets (best druggability 0.76). MolNFT v1 #144870 on GenesisL1: 3D…
- PDB
- 6C75
- Type
- protein
- Length
- 756 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alcohol dehydrogenase
- UniProt
- A0A0Q2QQL1
- Ligands
- NAP, ATR, FE
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 58% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alcohol dehydrogenase | protein | 378 | 58% helix, 12% strand | A0A0Q2QQL1 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- ATR · 2'-monophosphoadenosine-5'-diphosphate · ligand · chains B
- FE · Fe (III) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 940 | 0.76 | 0.79 | 78 | ATR |
| 2 | 517 | 0.76 | 0.84 | 64 | NAP |
| 3 | 638 | 0.69 | 0.77 | 59 | empty |
| 4 | 69 | 0.48 | 0.84 | 14 | empty |
| 5 | 91 | 0.46 | 0.81 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1059 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 6C75 · Structure of Iron containing alcohol dehydrogenase from Thermococcus thioreducens in a… · 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 A0A0Q2QQL1
- Elsewhere: RCSB PDB 6C75 · PDBe 6C75 · UniProt A0A0Q2QQL1
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