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MolNFT v2 · #190991 · protein

C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to choline

7PTH: “C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to choline”. X-ray diffraction at 1.85, 2 ligands (CHT, CA). MolNFT v2 #190991 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7PTH
Type
protein
Length
2,058 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.85
Source
Rhizobium meliloti
UniProt
A0A410NSD4
Ligands
CHT, CA

Structure

x-ray diffraction · resolution 1.85 · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C—protein517—A0A410NSD4
B, D—protein512—A0A410NSD4

Ligands and binding sites

  • CHT · Choline ion · ligand · 4 copies · chains A, B, D, C
  • CA · Calcium ion · metal · 4 copies · chains A, B, C, D
  • ACT · Acetate ion · additive · 2 copies · chains B
  • EDO · 1,2-ethanediol · additive · 2 copies · chains C, D
  • PEG · Di(hydroxyethyl)ether · additive · chains C

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

Compared structures

  • 7PTH · C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to choline · the same entry in another collection · chain A against A, TM-score 1.00

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