MolNFT v1 · #6753 · protein
7-alpha-hydroxysteroid dehydrogenase complex with NADH and 7-oxo glycochenodeoxycholic acid
1FMC · 7 alpha-hydroxysteroid dehydrogenase: “7-alpha-hydroxysteroid dehydrogenase complex with NADH and 7-oxo glycochenodeoxycholic acid”. X-ray diffraction, 2 ligands (CHO, NAI), 3 pockets (best druggability 0.76). MolNFT v1 #6753 on…
- PDB
- 1FMC
- Type
- protein
- Length
- 510 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 7 alpha-hydroxysteroid dehydrogenase
- EC
- 1.1.1.159
- UniProt
- P25529
- Ligands
- CHO, NAI
- Pockets
- 3 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 49% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 7 alpha-hydroxysteroid dehydrogenase (EC 1.1.1.159) | protein | 255 | 49% helix, 15% strand | P25529 |
Ligands and binding sites
- CHO · Glycochenodeoxycholic acid · ligand · 2 copies · chains A, B
- NAI · 1,4-dihydronicotinamide adenine dinucleotide · 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 | 518 | 0.76 | 0.83 | 52 | CHO, NAI |
| 2 | 504 | 0.74 | 0.83 | 54 | CHO, NAI |
| 3 | 120 | 0.49 | 0.80 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 1761 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 1FMC · 7-alpha-hydroxysteroid dehydrogenase complex with NADH and 7-oxo glycochenodeoxycholic… · 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 P25529
- Elsewhere: RCSB PDB 1FMC · PDBe 1FMC · UniProt P25529
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