MolNFT v1 · #153632 · protein
The NAD+-bound form of human nsdhl
6JKH · Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating: “The NAD+-bound form of human nsdhl”. X-ray diffraction, 1 ligand (NAD), 9 pockets (best druggability 0.56). MolNFT v1 #153632 on GenesisL1: 3D structure, binding sites…
- PDB
- 6JKH
- Type
- protein
- Length
- 423 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating
- EC
- 1.1.1.170
- UniProt
- Q15738
- Ligands
- NAD
- Pockets
- 9 · best druggability 0.56
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating (EC 1.1.1.170) | protein | 212 | 43% helix, 23% strand | Q15738 |
| B | Sterol-4-alpha-carboxylate 3-dehydrogenase, decarboxylating (EC 1.1.1.170) | protein | 211 | 41% helix, 24% strand | Q15738 |
Ligands and binding sites
- NAD · Nicotinamide-adenine-dinucleotide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 283 | 0.56 | 0.76 | 35 | NAD |
| 2 | 300 | 0.55 | 0.76 | 44 | NAD |
| 3 | 121 | 0.53 | 0.82 | 24 | empty |
| 4 | 111 | 0.46 | 0.79 | 26 | empty |
| 5 | 64 | 0.45 | 0.83 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 2155 Ų buried · 30 hydrogen bonds · protein-protein
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 Q15738
- Elsewhere: RCSB PDB 6JKH · PDBe 6JKH · UniProt Q15738
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