MolNFT v1 · #59334 · protein
Crystal structure of human DELTA(4)-3-ketosteroid 5-beta-reductase in complex with NADP and hepes. resolution: 1.35 a.
3BUV · 3-oxo-5-beta-steroid 4-dehydrogenase: “Crystal structure of human DELTA(4)-3-ketosteroid 5-beta-reductase in complex with NADP and hepes.…”. X-ray diffraction, 1 ligand (NAP), 7 pockets (best druggability 0.79). MolNFT v1 #59334 on…
- PDB
- 3BUV
- Type
- protein
- Length
- 650 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3-oxo-5-beta-steroid 4-dehydrogenase
- EC
- 1.3.1.3
- UniProt
- P51857
- Ligands
- NAP
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 3-oxo-5-beta-steroid 4-dehydrogenase (EC 1.3.1.3) | protein | 325 | 38% helix, 15% strand | P51857 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains B, A
- GOL · Glycerol · additive · 2 copies · chains A, B
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 435 | 0.79 | 0.87 | 50 | NAP |
| 2 | 510 | 0.79 | 0.86 | 50 | NAP, EPE |
| 3 | 449 | 0.63 | 0.77 | 45 | GOL |
| 4 | 266 | 0.55 | 0.77 | 33 | empty |
| 5 | 57 | 0.42 | 0.82 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 469 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 3BUV · Crystal structure of human Delta(4)-3-ketosteroid 5-beta-reductase in complex with NADP… · the same entry in another collection · chain A against A, TM-score 1.00
- P51857 · AlphaFold monomer V2.0 prediction for aldo-keto reductase family 1 member D1 (P51857) · a predicted model of the same protein · chain B 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 P51857
- Elsewhere: RCSB PDB 3BUV · PDBe 3BUV · UniProt P51857
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.