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Ligand · C2R

C2R · 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid

C2R, 5-amino-1-(5-O-phosphono-beta-D-ribofuranosyl)-1H-imidazole-4-carboxylic acid (C9 H14 N3 O9 P, 339.2 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within 4.5 Å…

Component
C2R
Formula
C9 H14 N3 O9 P
Class
ligand
Structures
8
PDB entries
4

Binding sites

C2R in 8 structures; the first of them:

  • 2GQS · SAICAR Synthetase Complexed with CAIR-Mg2+ and ADP · C2R A242 · binds ASP36, GLU90, VAL92, ARG94, ALA98, GLY99, SER100, LEU101 and 10 more
  • 2NSJ · E. coli PurE H45Q mutant complexed with CAIR · C2R A242 · binds GLY15, SER16, SER18, ASP19, SER43, ALA44, GLN45, ARG46 and 8 more
  • 2NSL · E. coli PurE H45N mutant complexed with CAIR · C2R A300 · binds GLY15, SER16, SER18, ASP19, SER43, ALA44, ASN45, ARG46 and 8 more
  • 6YB8 · Human octameric PAICS in complex with CAIR and SAICAR · C2R A501 · binds GLY273, SER274, ASP277, SER301, ALA302, HIS303, LYS304, VAL328 and 8 more
  • 2GQS · Saicar synthetase complexed with cair-MG2+ and ADP · C2R A242 · binds ASP36, GLU90, VAL92, ARG94, ALA98, GLY99, SER100, LEU101 and 10 more
  • 2NSJ · E. COLI pure H45Q mutant complexed with cair · C2R A242 · binds GLY15, SER16, SER18, ASP19, SER43, ALA44, GLN45, ARG46 and 8 more
  • 2NSL · E. COLI pure H45N mutant complexed with cair · C2R A300 · binds GLY15, SER16, SER18, ASP19, SER43, ALA44, ASN45, ARG46 and 8 more
  • 6YB8 · Human octameric paics in complex with cair and saicar · C2R A501 · binds GLY273, SER274, ASP277, SER301, ALA302, HIS303, LYS304, VAL328 and 8 more

Residues it binds most

SER 14, GLY 14, ALA 12, ASP 14, ARG 14, VAL 14, LYS 10, LEU 10, PHE 6, HIS 8 (residue and the binding sites it lines).

Found with

  • ADP · Adenosine-5'-diphosphate
  • OK8 · (2~{S})-2-[[5-azanyl-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]imidazol-4-yl]car bonylamino]butanedioic acid
  • MG · Magnesium ion
  • EDO · 1,2-ethanediol
  • FMT · Formic acid
  • IMD · Imidazole

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