Research workbench
Crystal structure of iron-containing alcohol dehydrogenase (NP_602249.1) from corynebacterium glutamicum atcc 13032 kitasato at 2.07 a resolution
Analyse Crystal structure of iron-containing alcohol dehydrogenase (NP_602249.1) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3IV7
- Type
- protein
- Length
- 712 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alcohol dehydrogenase IV
- EC
- 1.3.1.32
- UniProt
- Q8NL91
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 58% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alcohol dehydrogenase IV (EC 1.3.1.32) | protein | 356 | 58% helix, 13% strand | Q8NL91 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 3 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 590 | 0.76 | 0.83 | 65 | empty |
| 2 | 155 | 0.76 | 0.93 | 35 | EDO |
| 3 | 717 | 0.74 | 0.80 | 58 | empty |
| 4 | 164 | 0.42 | 0.73 | 29 | EDO |
| 5 | 143 | 0.41 | 0.74 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1231 Ų buried · 23 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 modified (engineered).
Compared structures
- 3IV7 · Crystal structure of Iron-containing alcohol dehydrogenase (NP_602249.1) from… · 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 Q8NL91
- Elsewhere: RCSB PDB 3IV7 · PDBe 3IV7 · UniProt Q8NL91
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