Research workbench
The crystal structure of a short-chain DEHYDROGENASES/REDUCTASE (ethylated) from veillonella parvula dsm 2008
Analyse The crystal structure of a short-chain DEHYDROGENASES/REDUCTASE (ethylated)… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4IPT
- Type
- protein
- Length
- 218 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NAD-dependent EPIMERASE/DEHYDRATASE
- UniProt
- D1BQI7
- Ligands
- CL
- Pockets
- 1 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NAD-dependent EPIMERASE/DEHYDRATASE | protein | 218 | 38% helix, 22% strand | D1BQI7 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A
- FMT · Formic acid · additive · 2 copies · chains A
- GOL · Glycerol · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
- PG4 · Tetraethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 284 | 0.57 | 0.77 | 40 | GOL, CL |
Modifications
Observed in the structure: 8 modified (engineered, nonstandard).
Compared structures
- 4IPT · The crystal structure of a short-chain dehydrogenases/reductase (ethylated) from… · 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 D1BQI7
- Elsewhere: RCSB PDB 4IPT · PDBe 4IPT · UniProt D1BQI7
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