Research workbench
Type 1 17-beta hydroxysteroid dehydrogenase equilin complexed with NADP+
Analyse Type 1 17-beta hydroxysteroid dehydrogenase equilin complexed with NADP+ in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1EQU
- Type
- protein
- Length
- 568 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (estradiol 17 beta-dehydrogenase 1)
- EC
- 1.1.1.62
- UniProt
- P14061
- Ligands
- NAP, EQI
- Pockets
- 6 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Protein (estradiol 17 beta-dehydrogenase 1) (EC 1.1.1.62) | protein | 284 | 54% helix, 14% strand | P14061 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- EQI · Equilin · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 565 | 0.82 | 0.87 | 63 | NAP, EQI |
| 2 | 726 | 0.80 | 0.84 | 77 | NAP |
| 3 | 242 | 0.79 | 0.92 | 32 | empty |
| 4 | 78 | 0.48 | 0.82 | 14 | empty |
| 5 | 68 | 0.42 | 0.81 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 2581 Ų buried · 32 hydrogen bonds · protein-protein
Compared structures
- 1EQU · Type 1 17-beta hydroxysteroid dehydrogenase equilin complexed with NADP+ · the same entry in another collection · chain A against A, TM-score 1.00
- P14061 · AlphaFold monomer V2.0 prediction for 17-beta-hydroxysteroid dehydrogenase type 1 (P14061) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 1EQU · PDBe 1EQU · UniProt P14061
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