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Ligand · PHS

PHS · Phosphonic acid

PHS, Phosphonic acid (H3 O3 P, 82.0 g/mol), in the MolNFT structures on GenesisL1: bound in 28 records (14 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
PHS
Formula
H3 O3 P
Class
ligand
Structures
28
PDB entries
14

Binding sites

PHS in 28 structures; the first of them:

  • 1FLO · FLP Recombinase-Holliday Junction Complex I · PHS E-4 · binds DC-5, DT-3, ARG191, LYS223, HIS305, ARG308, TYR343
  • 1NXP · MicArec pH4.5 · PHS A121 · binds VAL7, ASP8, ASP9, PHE32, ASN33, GLY34, LEU51, ASP52 and 6 more
  • 1WKL · Crystal Structure of Nucleoside Diphosphate Kinase from Thermus thermophilus HB8 in… · PHS A138 · binds MET7, LYS9, HIS48, TYR49, ILE114, HIS115
  • 2I1V · Crystal structure of PFKFB3 in complex with ADP and Fructose-2,6-bisphosphate · PHS B730 · binds ARG252, HIS253, ASN256, ASN259, HIS387, GLN388, LEU413
  • 3QPV · PFKFB3 trapped in a phospho-enzyme intermediate state · PHS A710 · binds ARG252, HIS253, ASN256, ASN259, CYS386, HIS387, GLN388
  • 4D4J · human PFKFB3 in complex with a pyrrolopyrimidone compound · PHS A1447 · binds ARG252, HIS253, ASN256, ASN259, GLU322, HIS387, GLN388
  • 4D4K · human PFKFB3 in complex with a pyrrolopyrimidone compound · PHS A1446 · binds ARG252, HIS253, ASN256, ASN259, GLU322, HIS387, GLN388
  • 4D4L · human PFKFB3 in complex with a pyrrolopyrimidone compound · PHS A1446 · binds ARG252, HIS253, ASN256, ASN259, GLU322, HIS387, GLN388
  • 4D4M · human PFKFB3 in complex with a pyrrolopyrimidone compound · PHS A1447 · binds ARG252, HIS253, ASN256, ASN259, GLU322, HIS387, GLN388
  • 5AJW · Human PFKFB3 in complex with an indole inhibitor 2 · PHS A1446 · binds ARG252, HIS253, ASN256, ASN259, GLU322, HIS387, GLN388
  • 5AJX · Human PFKFB3 in complex with an indole inhibitor 3 · PHS A1445 · binds ARG252, HIS253, ASN256, ASN259, GLU322, HIS387, GLN388
  • 5AJY · Human PFKFB3 in complex with an indole inhibitor 4 · PHS A1445 · binds ARG252, HIS253, ASN256, ASN259, GLU322, HIS387, GLN388
  • 5AJZ · Human PFKFB3 in complex with an indole inhibitor 5 · PHS A1446 · binds ARG252, HIS253, ASN256, ASN259, GLU322, HIS387, GLN388
  • 5AK0 · Human PFKFB3 in complex with an indole inhibitor 6 · PHS A1446 · binds ARG252, HIS253, ASN259, GLU322, HIS387, GLN388
  • 1FLO · Flp recombinase-holliday junction complex I · PHS E-4 · binds DC-5, DT-3, ARG191, LYS223, HIS305, ARG308, TYR343
  • 1NXP · Micarec PH4.5 · PHS A121 · binds VAL7, ASP8, ASP9, PHE32, ASN33, GLY34, LEU51, ASP52 and 6 more
  • 1WKL · Crystal structure of nucleoside diphosphate kinase from thermus thermophilus HB8 in… · PHS A138 · binds MET7, LYS9, HIS48, TYR49, ILE114, HIS115
  • 2I1V · Crystal structure of PFKFB3 in complex with ADP and fructose-2,6- bisphosphate · PHS B730 · binds ARG252, HIS253, ASN256, ASN259, HIS387, GLN388, LEU413
  • 3QPV · PFKFB3 trapped in a phospho-enzyme intermediate state · PHS A710 · binds ARG252, HIS253, ASN256, ASN259, CYS386, HIS387, GLN388
  • 4D4J · Human PFKFB3 in complex with a pyrrolopyrimidone compound · PHS A1447 · binds ARG252, HIS253, ASN256, ASN259, GLU322, HIS387, GLN388
  • 4D4K · Human PFKFB3 in complex with a pyrrolopyrimidone compound · PHS A1446 · binds ARG252, HIS253, ASN256, ASN259, GLU322, HIS387, GLN388
  • 4D4L · Human PFKFB3 in complex with a pyrrolopyrimidone compound · PHS A1446 · binds ARG252, HIS253, ASN256, ASN259, GLU322, HIS387, GLN388
  • 4D4M · Human PFKFB3 in complex with a pyrrolopyrimidone compound · PHS A1447 · binds ARG252, HIS253, ASN256, ASN259, GLU322, HIS387, GLN388
  • 5AJW · Human PFKFB3 in complex with an indole inhibitor 2 · PHS A1446 · binds ARG252, HIS253, ASN256, ASN259, GLU322, HIS387, GLN388
  • 5AJX · Human PFKFB3 in complex with an indole inhibitor 3 · PHS A1445 · binds ARG252, HIS253, ASN256, ASN259, GLU322, HIS387, GLN388
  • 5AJY · Human PFKFB3 in complex with an indole inhibitor 4 · PHS A1445 · binds ARG252, HIS253, ASN256, ASN259, GLU322, HIS387, GLN388
  • 5AJZ · Human PFKFB3 in complex with an indole inhibitor 5 · PHS A1446 · binds ARG252, HIS253, ASN256, ASN259, GLU322, HIS387, GLN388
  • 5AK0 · Human PFKFB3 in complex with an indole inhibitor 6 · PHS A1446 · binds ARG252, HIS253, ASN259, GLU322, HIS387, GLN388

Residues it binds most

HIS 32, ASN 24, ARG 30, GLN 22, GLU 18, LYS 10, ASP 2, DC 8, DT 8, LEU 4 (residue and the binding sites it lines).

Found with

  • F6P · 6-O-phosphono-beta-D-fructofuranose
  • PO4 · Phosphate ion
  • ADP · Adenosine-5'-diphosphate
  • FDP · 2,6-di-O-phosphono-beta-D-fructofuranose
  • 87T · N-(4-{[3-(1-methyl-1H-pyrazol-4-yl)-1H-indol-5-yl]oxy}phenyl)glycinamide
  • 8V1 · (2S)-N-[4-[1-methyl-3-(1-methylpyrazol-4-yl)indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
  • ATP · Adenosine-5'-triphosphate
  • BKE · 7-(4-methoxyphenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
  • BKI · 5-(4-bromophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
  • BKS · 5-(4-chlorophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
  • BKV · 7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
  • FD9 · (2S)-N-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide

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