MolNFT v1 · #141638 · protein
Crystal structure of kluyveromyces polyspora adh (kpadh) mutant (Q136N/F161V/S196G/E214G/S237C)
5ZEC · Uncharacterized protein adh: “Crystal structure of kluyveromyces polyspora adh (kpadh) mutant (Q136N/F161V/S196G/E214G/S237C)”. X-ray diffraction, 1 ligand (NAP), 3 pockets (best druggability 0.76). MolNFT v1 #141638 on GenesisL1…
- PDB
- 5ZEC
- Type
- protein
- Length
- 684 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein adh
- UniProt
- A7TM80
- Ligands
- NAP
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Uncharacterized protein adh | protein | 342 | 42% helix, 15% strand | A7TM80 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · chains A
- IPA · Isopropyl alcohol · additive · chains A
- GOL · Glycerol · additive · chains B
- EOH · Ethanol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 749 | 0.76 | 0.81 | 60 | NAP, GOL, EOH |
| 2 | 741 | 0.76 | 0.81 | 58 | NAP, EDO |
| 3 | 133 | 0.40 | 0.74 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 194 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5ZEC · Crystal structure of Kluyveromyces polyspora ADH (KpADH) mutant… · 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 A7TM80
- Elsewhere: RCSB PDB 5ZEC · PDBe 5ZEC · UniProt A7TM80
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