MolNFT v1 · #28582 · protein
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.
1YIQ: “Molecular cloning and structural analysis of quinohemoprotein alcohol dehydrogenase adhiig from pseudomonas…”. X-ray diffraction, 3 ligands (PQQ, HEC, CA), 7 pockets (best druggability 0.80). MolNFT v1 #28582 on GenesisL1: 3D…
- 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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