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MolNFT v1 · #81772 · protein

Crystal structure of a DEHYDROGENASE/REDUCTASE from sinorhizobium meliloti 1021

3V2G · 3-oxoacyl-[acyl-carrier-protein] reductase: “Crystal structure of a DEHYDROGENASE/REDUCTASE from sinorhizobium meliloti 1021”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.70). MolNFT v1 #81772 on GenesisL1: 3D…

PDB
3V2G
Type
protein
Length
252 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
3-oxoacyl-[acyl-carrier-protein] reductase
EC
1.1.1.100
UniProt
Q92WA6
Ligands
SO4
Pockets
1 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A3-oxoacyl-[acyl-carrier-protein] reductase (EC 1.1.1.100)protein25248% helix, 15% strandQ92WA6

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · 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
13450.700.8346SO4

Modifications

Observed in the structure: 4 modified (engineered).

Compared structures

  • 3V2G · Crystal structure of a dehydrogenase/reductase from Sinorhizobium meliloti 1021 · the same entry in another collection · chain A against A, TM-score 1.00

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