MolNFT v1 · #37257 · protein
Crystal structure of human 3-alpha HYDROXYSTEROID/DIHYDRODIOL dehydrogenase (AKR1C4) complexed with NADP+
2FVL · Aldo-keto reductase family 1, member C4: “Crystal structure of human 3-alpha HYDROXYSTEROID/DIHYDRODIOL dehydrogenase (AKR1C4) complexed with NADP+”. X-ray diffraction, 1 ligand (NAP), 13 pockets (best druggability 0.80). MolNFT v1…
- PDB
- 2FVL
- Type
- protein
- Length
- 969 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldo-keto reductase family 1, member C4
- EC
- 1.1.1.225, 1.1.1.50
- Ligands
- NAP
- Pockets
- 13 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Aldo-keto reductase family 1, member C4 (EC 1.1.1.225, 1.1.1.50) | protein | 323 | 40% helix, 16% strand | — |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 373 | 0.80 | 0.89 | 41 | NAP |
| 2 | 359 | 0.79 | 0.89 | 40 | NAP |
| 3 | 350 | 0.78 | 0.88 | 43 | NAP |
| 4 | 545 | 0.73 | 0.81 | 57 | empty |
| 5 | 620 | 0.72 | 0.80 | 56 | empty |
Interfaces
3 interfaces between chains.
- A–C · 368 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 353 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 335 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2FVL · Crystal structure of human 3-alpha hydroxysteroid/dihydrodiol dehydrogenase (AKR1C4)… · 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
- Elsewhere: RCSB PDB 2FVL · PDBe 2FVL
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.