MolNFT v1 · #83922 · protein
Crystal structure of NADPH bound carbonyl reductase from chicken fatty liver
3WXB · Uncharacterized protein: “Crystal structure of NADPH bound carbonyl reductase from chicken fatty liver”. X-ray diffraction, 1 ligand (NDP), 3 pockets (best druggability 0.77). MolNFT v1 #83922 on GenesisL1: 3D structure, binding…
- PDB
- 3WXB
- Type
- protein
- Length
- 521 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- EC
- 1.1.1.184
- UniProt
- F1N9C1
- Ligands
- NDP
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein (EC 1.1.1.184) | protein | 269 | 43% helix, 13% strand | F1N9C1 |
| B | Uncharacterized protein (EC 1.1.1.184) | protein | 252 | 45% helix, 14% strand | F1N9C1 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · chains A
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 | 403 | 0.77 | 0.86 | 47 | NDP, EDO |
| 2 | 494 | 0.76 | 0.84 | 52 | NDP |
| 3 | 81 | 0.34 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 1758 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 3WXB · Crystal structure of NADPH bound carbonyl reductase from chicken fatty liver · the same entry in another collection · chain B against B, 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 F1N9C1
- Elsewhere: RCSB PDB 3WXB · PDBe 3WXB · UniProt F1N9C1
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