MolNFT v1 · #177075 · protein
Crystal structure of polyol dehydrogenase from paracoccus denitrificans
7E6O · Short-chain DEHYDROGENASE/REDUCTASE sdr: “Crystal structure of polyol dehydrogenase from paracoccus denitrificans”. X-ray diffraction, 9 pockets (best druggability 0.86). MolNFT v1 #177075 on GenesisL1: 3D structure, binding sites…
- PDB
- 7E6O
- Type
- protein
- Length
- 987 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Short-chain DEHYDROGENASE/REDUCTASE sdr
- UniProt
- A1BBK7
- Pockets
- 9 · best druggability 0.86
Structure
x-ray diffraction · 4 distinct chains · 49% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Short-chain DEHYDROGENASE/REDUCTASE sdr | protein | 256 | 50% helix, 16% strand | A1BBK7 |
| A | Short-chain DEHYDROGENASE/REDUCTASE sdr | protein | 242 | 48% helix, 17% strand | A1BBK7 |
| B | Short-chain DEHYDROGENASE/REDUCTASE sdr | protein | 239 | 48% helix, 17% strand | A1BBK7 |
| D | Short-chain DEHYDROGENASE/REDUCTASE sdr | protein | 250 | 50% helix, 17% strand | A1BBK7 |
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 670 | 0.86 | 0.90 | 46 | empty |
| 2 | 639 | 0.76 | 0.82 | 71 | empty |
| 3 | 1061 | 0.74 | 0.76 | 73 | empty |
| 4 | 468 | 0.65 | 0.77 | 42 | empty |
| 5 | 326 | 0.62 | 0.79 | 37 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1583 Ų buried · 22 hydrogen bonds · protein-protein
- C–D · 1575 Ų buried · 21 hydrogen bonds · protein-protein
- C–B · 1551 Ų buried · 22 hydrogen bonds · protein-protein
- A–D · 1542 Ų buried · 23 hydrogen bonds · protein-protein
- B–D · 130 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 7E6O · Crystal structure of polyol dehydrogenase from Paracoccus denitrificans · the same entry in another collection · chain C against C, 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 A1BBK7
- Elsewhere: RCSB PDB 7E6O · PDBe 7E6O · UniProt A1BBK7
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