Research workbench
Molecular cloning and structural analysis of quinohemoprotein alcohol dehydrogenase adhiig from pseudomonas putida HK5. compariison to the other quinohemoprotein alcohol dehydrogenase adhiib found in the same microorganism.
Analyse Molecular cloning and structural analysis of quinohemoprotein alcohol… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1YIQ
- Type
- protein
- Length
- 684 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Quinohemoprotein alcohol dehydrogenase
- EC
- 1.1.99.-
- UniProt
- Q4W6G0
- Ligands
- PQQ, HEC, CA
- Pockets
- 7 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 17% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Quinohemoprotein alcohol dehydrogenase (EC 1.1.99.-) | protein | 684 | 17% helix, 31% strand | Q4W6G0 |
Ligands and binding sites
- PQQ · Pyrroloquinoline quinone · ligand · chains A
- HEC · Heme C · ligand · chains A
- CA · Calcium ion · metal · chains A
- PGR · R-1,2-propanediol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 126 | 0.80 | 0.97 | 33 | CA, PQQ, PGR |
| 2 | 585 | 0.71 | 0.79 | 68 | HEC, PGR |
| 3 | 252 | 0.57 | 0.78 | 31 | empty |
| 4 | 97 | 0.45 | 0.80 | 20 | empty |
| 5 | 135 | 0.42 | 0.76 | 21 | empty |
Modifications
Observed in the structure: 2 cofactor, 1 disulfide (heme c attachment, disulfide).
Compared structures
- 1YIQ · Molecular cloning and structural analysis of quinohemoprotein alcohol dehydrogenase… · the same entry in another collection · chain A against A, TM-score 1.00
- Q4W6G0 · AlphaFold monomer V2.0 prediction for quinohemoprotein alcohol dehydrogenase adh-iig… · a predicted model of the same protein · 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 Q4W6G0
- Elsewhere: RCSB PDB 1YIQ · PDBe 1YIQ · UniProt Q4W6G0
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