MolNFT v1 · #137354 · protein
Crystal structure of ECK1772, an OXIDOREDUCTASE/DEHYDROGENASE of unknown specificity involved in membrane biogenesis from escherichia COLI
5VM2 · Alcohol dehydrogenase: “Crystal structure of ECK1772, an OXIDOREDUCTASE/DEHYDROGENASE of unknown specificity involved in membrane…”. X-ray diffraction, 3 ligands (MG, ZN, CL), 8 pockets (best druggability 0.74). MolNFT v1 #137354 on…
- PDB
- 5VM2
- Type
- protein
- Length
- 694 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alcohol dehydrogenase
- UniProt
- C3T6X7
- Ligands
- MG, ZN, CL
- Pockets
- 8 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Alcohol dehydrogenase | protein | 347 | 31% helix, 29% strand | C3T6X7 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- CL · Chloride ion · ion · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 761 | 0.74 | 0.79 | 66 | empty |
| 2 | 671 | 0.74 | 0.80 | 64 | MG |
| 3 | 108 | 0.42 | 0.77 | 29 | empty |
| 4 | 95 | 0.41 | 0.78 | 22 | empty |
| 5 | 71 | 0.32 | 0.75 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 567 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 2 modified (oxidation).
Compared structures
- 5VM2 · Crystal structure of ECK1772, an oxidoreductase/dehydrogenase of unknown specificity… · 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 C3T6X7
- Elsewhere: RCSB PDB 5VM2 · PDBe 5VM2 · UniProt C3T6X7
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