MolNFT v1 · #129406 · protein
Crystal structure of the DEHYDROGENASE/REDUCTASE sdr family member 4 (DHRS4) from caenorhabditis elegans
5OJG: “Crystal structure of the DEHYDROGENASE/REDUCTASE sdr family member 4 (DHRS4) from caenorhabditis elegans”. X-ray diffraction, 2 ligands (NAP, BUO), 6 pockets (best druggability 0.77). MolNFT v1 #129406 on GenesisL1: 3D structure…
- PDB
- 5OJG
- Type
- protein
- Length
- 520 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DEHYDROGENASE/REDUCTASE sdr family member 4
- EC
- 1.1.1.184
- UniProt
- G5EGA6
- Ligands
- NAP, BUO
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | DEHYDROGENASE/REDUCTASE sdr family member 4 (EC 1.1.1.184) | protein | 260 | 48% helix, 15% strand | G5EGA6 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- BUO · butane-2,3-dione · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 613 | 0.77 | 0.83 | 58 | NAP, BUO |
| 2 | 530 | 0.76 | 0.84 | 57 | NAP, BUO |
| 3 | 100 | 0.43 | 0.79 | 26 | empty |
| 4 | 57 | 0.38 | 0.80 | 15 | empty |
| 5 | 50 | 0.35 | 0.80 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1956 Ų buried · 32 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 5OJG · Crystal structure of the dehydrogenase/reductase SDR family member 4 (DHRS4) from… · the same entry in another collection · chain A against A, TM-score 1.00
- G5EGA6 · AlphaFold monomer V2.0 prediction for DEHYDROGENASE/REDUCTASE sdr family member 4 (G5EGA6) · a predicted model of the same protein · chain B 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 G5EGA6
- Elsewhere: RCSB PDB 5OJG · PDBe 5OJG · UniProt G5EGA6
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