Research workbench
Crystal structure of alcohol dehydrogenase, iron-containing (TM0920) from thermotoga maritima at 1.30 a resolution
Analyse Crystal structure of alcohol dehydrogenase, iron-containing (TM0920) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1O2D
- Type
- protein
- Length
- 719 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alcohol dehydrogenase, iron-containing
- EC
- 1.1.1.1
- UniProt
- Q9X022
- Ligands
- NAP, FE
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 56% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alcohol dehydrogenase, iron-containing (EC 1.1.1.1) | protein | 359 | 56% helix, 13% strand | Q9X022 |
| B | Alcohol dehydrogenase, iron-containing (EC 1.1.1.1) | protein | 360 | 56% helix, 13% strand | Q9X022 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- FE · Fe (III) ion · metal · 2 copies · chains A, B
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 626 | 0.76 | 0.82 | 72 | NAP |
| 2 | 640 | 0.75 | 0.81 | 73 | NAP |
Modifications
Observed in the structure: 22 modified (engineered).
Compared structures
- 1O2D · Crystal structure of Alcohol dehydrogenase, iron-containing (TM0920) from Thermotoga… · 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 Q9X022
- Elsewhere: RCSB PDB 1O2D · PDBe 1O2D · UniProt Q9X022
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