MolNFT v1 · #189879 · protein
NADPH-bound AKR4C17 mutant F291D
7W1W · AKR4-2: “NADPH-bound AKR4C17 mutant F291D”. X-ray diffraction, 1 ligand (NDP), 3 pockets (best druggability 0.81). MolNFT v1 #189879 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7W1W
- Type
- protein
- Length
- 617 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- AKR4-2
- UniProt
- A0A5J6VLZ7
- Ligands
- NDP
- Pockets
- 3 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | AKR4-2 | protein | 309 | 43% helix, 16% strand | A0A5J6VLZ7 |
| B | AKR4-2 | protein | 308 | 43% helix, 15% strand | A0A5J6VLZ7 |
Ligands and binding sites
- NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, 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 | 813 | 0.81 | 0.84 | 106 | NDP |
| 2 | 502 | 0.68 | 0.79 | 63 | empty |
| 3 | 56 | 0.30 | 0.75 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 886 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 7W1W · NADPH-bound AKR4C17 mutant F291D · 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 A0A5J6VLZ7
- Elsewhere: RCSB PDB 7W1W · PDBe 7W1W · UniProt A0A5J6VLZ7
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