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Ligand · A12

A12 · Phosphomethylphosphonic acid adenosyl ester

A12, Phosphomethylphosphonic acid adenosyl ester (C11 H17 N5 O9 P2, 425.2 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (6 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
A12
Formula
C11 H17 N5 O9 P2
Class
ligand
Structures
8
PDB entries
6

Binding sites

A12 in 8 structures; the first of them:

  • 4XYM · Ca. Korarchaeum cryptofilum dinucleotide forming Acetyl-coenzyme A synthetase 1 in… · A12 B300 · binds THR35, VAL58, LYS60, VAL67, HIS68, LYS69, SER70, VAL75 and 10 more
  • 6GPH · Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant… · A12 A301 · binds ASN51, SER52, ALA55, ASP93, MET98, ASN106, LEU107, GLY135 and 4 more
  • 6GQS · Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant… · A12 A301 · binds ASN51, SER52, ALA55, ASP93, MET98, ASN106, LEU107, ARG112 and 5 more
  • 8DSH · Human NAMPT in complex with quercitrin and AMPcP · A12 A1301 · binds PHE193, ARG196, ALA244, ALA245, ARG311, ASP313, ILE351, GLY353 and 13 more
  • 6GPH · Structure of human heat shock protein 90-alpha N-terminal domain (HSP90-ntd) variant… · A12 A301 · binds ASN51, SER52, ALA55, ASP93, MET98, ASN106, LEU107, GLY135 and 4 more
  • 6GPT · Structure of human heat shock protein 90-alpha N-terminal domain (HSP90-ntd) in complex… · A12 A302 · binds ASN51, ALA55, ASP93, MET98, ASN106, LEU107, GLY135, VAL136 and 3 more
  • 6GQS · Structure of human heat shock protein 90-alpha N-terminal domain (HSP90-ntd) variant… · A12 A301 · binds ASN51, SER52, ALA55, ASP93, MET98, ASN106, LEU107, ARG112 and 5 more
  • 6WJZ · Crystal structure of human ribokinase in complex with ampcp · A12 A401 · binds ASN199, THR235, LEU236, GLY237, ALA238, GLY240, THR256, GLU257 and 8 more

Residues it binds most

GLY 9, ALA 11, VAL 9, ASN 9, PHE 9, THR 9, ARG 4, ASP 9, SER 8, GLU 5 (residue and the binding sites it lines).

Found with

  • MG · Magnesium ion
  • NA · Sodium ion
  • COA · Coenzyme A
  • QCT · 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside
  • CA · Calcium ion
  • HG · Mercury (II) ion
  • CL · Chloride ion
  • GOL · Glycerol

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