MolNFT v1 · #139206 · protein
Crystal structure of the ketone reductase CHKRED20 from the genome of chryseobacterium sp. CA49
5X8H · Short-chain dehydrogenase reductase: “Crystal structure of the ketone reductase CHKRED20 from the genome of chryseobacterium sp. CA49”. X-ray diffraction, 11 pockets (best druggability 0.86). MolNFT v1 #139206 on GenesisL1: 3D…
- PDB
- 5X8H
- Type
- protein
- Length
- 992 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Short-chain dehydrogenase reductase
- UniProt
- X2D0L0
- Pockets
- 11 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Short-chain dehydrogenase reductase | protein | 248 | 50% helix, 16% strand | X2D0L0 |
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 883 | 0.86 | 0.88 | 69 | empty |
| 2 | 534 | 0.70 | 0.79 | 44 | empty |
| 3 | 530 | 0.69 | 0.78 | 49 | empty |
| 4 | 686 | 0.68 | 0.76 | 61 | empty |
| 5 | 363 | 0.59 | 0.76 | 41 | empty |
Interfaces
6 interfaces between chains.
- B–C · 1622 Ų buried · 27 hydrogen bonds · protein-protein
- A–D · 1604 Ų buried · 28 hydrogen bonds · protein-protein
- A–B · 1393 Ų buried · 10 hydrogen bonds · protein-protein
- C–D · 1389 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 263 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 5X8H · Crystal structure of the ketone reductase ChKRED20 from the genome of Chryseobacterium… · 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 X2D0L0
- Elsewhere: RCSB PDB 5X8H · PDBe 5X8H · UniProt X2D0L0
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