MolNFT v1 · #146771 · protein
Crystal structure of CJ0485 dehydrogenase
6DRR · Short-chain dehydrogenase: “Crystal structure of CJ0485 dehydrogenase”. X-ray diffraction, 2 pockets (best druggability 0.70). MolNFT v1 #146771 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6DRR
- Type
- protein
- Length
- 519 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Short-chain dehydrogenase
- UniProt
- A0A1E7PQA4
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Short-chain dehydrogenase | protein | 259 | 49% helix, 13% strand | A0A1E7PQA4 |
| B | Short-chain dehydrogenase | protein | 260 | 49% helix, 13% strand | A0A1E7PQA4 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 9 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 526 | 0.70 | 0.80 | 45 | EDO |
| 2 | 586 | 0.70 | 0.79 | 51 | EDO |
Compared structures
- 6DRR · Crystal structure of Cj0485 dehydrogenase · 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 A0A1E7PQA4
- Elsewhere: RCSB PDB 6DRR · PDBe 6DRR · UniProt A0A1E7PQA4
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