MolNFT v1 · #69280 · protein
17BETA-HSD1 in complex with a-diol
3KLP · Estradiol 17-beta-dehydrogenase 1: “17BETA-HSD1 in complex with a-diol”. X-ray diffraction, 1 ligand (B81), 1 pocket (best druggability 0.67). MolNFT v1 #69280 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3KLP
- Type
- protein
- Length
- 276 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Estradiol 17-beta-dehydrogenase 1
- EC
- 1.1.1.62
- UniProt
- P14061
- Ligands
- B81
- Pockets
- 1 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Estradiol 17-beta-dehydrogenase 1 (EC 1.1.1.62) | protein | 276 | 54% helix, 15% strand | P14061 |
Ligands and binding sites
- B81 · (3alpha,8alpha,17beta)-androst-5-ene-3,17-diol · ligand · chains X
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 | 508 | 0.67 | 0.78 | 57 | B81 |
Compared structures
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 P14061
- Elsewhere: RCSB PDB 3KLP · PDBe 3KLP · UniProt P14061
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