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MolNFT v2 · #193800 · protein

Crystal Structure of Inhibitor-bound Galactokinase

7S4C: “Crystal Structure of Inhibitor-bound Galactokinase”. X-ray diffraction at 2.2, 4 ligands (V3V, GLA, NA). MolNFT v2 #193800 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7S4C
Type
protein
Length
782 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.2
Source
Homo sapiens
UniProt
P51570
Ligands
V3V, GLA, NA, PO4

Structure

x-ray diffraction · resolution 2.2 · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B—protein391—P51570

Ligands and binding sites

  • V3V · 2-({(4R)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid · ligand · 3 copies · chains A, B
  • GLA · alpha-D-galactopyranose · sugar · 2 copies · chains A, B
  • NA · Sodium ion · metal · 2 copies · chains A, B
  • PO4 · Phosphate ion · ion · 4 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 7S4C · Crystal structure of inhibitor-bound galactokinase · the same entry in another collection · chain A against A, TM-score 1.00
  • P51570 · AlphaFold monomer V2.0 prediction for galactokinase (P51570) · a predicted model of the same protein · chain A against A, TM-score 0.99

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