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MolNFT v1 · #95421 · protein

The crystal structure of a short-chain DEHYDROGENASES/REDUCTASE (ethylated) from veillonella parvula dsm 2008

4IPT · NAD-dependent EPIMERASE/DEHYDRATASE: “The crystal structure of a short-chain DEHYDROGENASES/REDUCTASE (ethylated) from veillonella parvula dsm 2008”. X-ray diffraction, 1 ligand (CL), 1 pocket (best druggability 0.57). MolNFT v1…

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).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANAD-dependent EPIMERASE/DEHYDRATASEprotein21838% helix, 22% strandD1BQI7

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12840.570.7740GOL, 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

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