MolNFT v1 · #29538 · protein
Crystal structure of human 17-beta-hydroxysteroid dehydrogenase type 4 in complex with NAD
1ZBQ · 17-beta-hydroxysteroid dehydrogenase 4: “Crystal structure of human 17-beta-hydroxysteroid dehydrogenase type 4 in complex with NAD”. X-ray diffraction, 1 ligand (NAD), 20 pockets (best druggability 0.79). MolNFT v1 #29538 on…
- PDB
- 1ZBQ
- Type
- protein
- Length
- 1,812 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 17-beta-hydroxysteroid dehydrogenase 4
- EC
- 1.1.1.35
- UniProt
- P51659
- Ligands
- NAD
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F | 17-beta-hydroxysteroid dehydrogenase 4 (EC 1.1.1.35) | protein | 302 | 47% helix, 16% strand | P51659 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 470 | 0.79 | 0.87 | 57 | NAD |
| 2 | 493 | 0.79 | 0.86 | 58 | NAD |
| 3 | 473 | 0.79 | 0.87 | 58 | NAD |
| 4 | 470 | 0.79 | 0.86 | 56 | NAD |
| 5 | 483 | 0.78 | 0.86 | 57 | NAD |
Interfaces
5 interfaces between chains.
- C–D · 4731 Ų buried · 69 hydrogen bonds · protein-protein
- A–B · 4638 Ų buried · 75 hydrogen bonds · protein-protein
- E–F · 4623 Ų buried · 75 hydrogen bonds · protein-protein
- A–E · 111 Ų buried · 1 hydrogen bond · protein-protein
- A–D · 44 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1ZBQ · Crystal Structure Of Human 17-Beta-Hydroxysteroid Dehydrogenase Type 4 In Complex With NAD · the same entry in another collection · chain F against F, TM-score 1.00
- P51659 · AlphaFold monomer V2.0 prediction for peroxisomal multifunctional enzyme type 2 (P51659) · a predicted model of the same protein · chain E 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 P51659
- Elsewhere: RCSB PDB 1ZBQ · PDBe 1ZBQ · UniProt P51659
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