Research workbench
Crystal structure of human zinc-binding alcohol dehydrogenase 1 (ZADH1) in ternary complex with NADP and 18BETA-glycyrrhetinic acid
Analyse Crystal structure of human zinc-binding alcohol dehydrogenase 1 (ZADH1) in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2W4Q
- Type
- protein
- Length
- 349 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Prostaglandin reductase 2
- EC
- 1.3.1.48
- UniProt
- Q8N8N7
- Ligands
- CBW, NAP, SO4
- Pockets
- 1 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Prostaglandin reductase 2 (EC 1.3.1.48) | protein | 349 | 32% helix, 29% strand | Q8N8N7 |
Ligands and binding sites
- CBW · (3beta,5beta,14beta)-3-hydroxy-11-oxoolean-12-en-29-oic acid · ligand · 2 copies · chains A
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- SO4 · Sulfate ion · ion · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1137 | 0.84 | 0.84 | 84 | NAP, CBW |
Compared structures
- 2W4Q · Crystal structure of human zinc-binding alcohol dehydrogenase 1 (ZADH1) in ternary… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8N8N7 · AlphaFold monomer V2.0 prediction for prostaglandin reductase 2 (Q8N8N7) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q8N8N7
- Elsewhere: RCSB PDB 2W4Q · PDBe 2W4Q · UniProt Q8N8N7
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