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MolNFT v1 · #124911 · protein

Fdhc with bound products: coenzyme a and 3-[(R)-3- hydroxybutanoylamino]-3,6-dideoxy-D-galactose

5KTC: “Fdhc with bound products: coenzyme a and 3-[(R)-3- hydroxybutanoylamino]-3,6-dideoxy-D-galactose”. X-ray diffraction, 3 ligands (FUH, COA, MG), 1 pocket (best druggability 0.65). MolNFT v1 #124911 on GenesisL1: 3D structure, binding…

PDB
5KTC
Type
protein
Length
187 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fdhc
UniProt
V5RDR9
Ligands
FUH, COA, MG
Pockets
1 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFdhcprotein18736% helix, 29% strandV5RDR9

Ligands and binding sites

  • FUH · [[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{S}, 5~{R},6~{R})-6-methyl-3,5-bis(oxidanyl)-4-[[(3~{R})-3-oxidanylbutanoyl]amino]oxan-2-yl] hydrogen phosphate · ligand · chains A
  • COA · Coenzyme A · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • EDO · 1,2-ethanediol · 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
13770.650.7941FUH, COA

Compared structures

  • 5KTC · FdhC with bound products: Coenzyme A and 3-[(R)-3-hydroxybutanoylamino]-3,6-dideoxy-d-gala… · the same entry in another collection · chain A against A, TM-score 1.00

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