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Ligand · 48V

48V · {[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid

48V, {[(2R)-2,3-diamino-3-oxopropyl]sulfanyl}acetic acid (C5 H10 N2 O3 S, 178.2 g/mol), in the MolNFT structures on GenesisL1: bound in 16 records (16 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
48V
Formula
C5 H10 N2 O3 S
Class
ligand
Structures
16
PDB entries
16

Binding sites

48V in 16 structures; the first of them:

  • 5LY1 · JMJD2A/ KDM4A complexed with NI(II) and macrocyclic peptide inhibitor CP2 (13-mer) · 48V E0 · binds GLN88, DTY1, TYR12, THR13
  • 5LY2 · JMJD2A/ KDM4A complexed with NI(II), nog and macrocyclic peptide inhibitor CP2_R6KME3… · 48V E0 · binds GLN88, DTY1, TYR12, THR13, TYR3
  • 5TYI · GRB7 SH2 with bicyclic peptide containing py mimetic · 48V L9 · binds ASP496, ASP497, GLN499, LYS478, LYS1, PHE2, ASN7, GLU8 and 2 more
  • 5U06 · GRB7-SH2 with bicyclic peptide inhibitor containing a py mimetic · 48V L9 · binds ASP496, ASP497, LYS1, PHE2, ASN7, GLU8, GLU8
  • 5U1Q · GRB7-SH2 with bicyclic peptide inhibitor · 48V L9 · binds ASP496, GLN499, LYS1, ASN7, GLU8
  • 6B67 · Human PP2CALPHA (PPM1A) complexed with cyclic peptide C(MPSIPYVA) · 48V D7 · binds ARG186, ARG281, MET1, PTR4, VAL5, ALA6
  • 6XS5 · Crystal structure of human VPS29 complexed with rapid-derived cyclic peptide rt-D1 · 48V B0 · binds DTY1, SER12, LEU14, LYS15, ARG16
  • 6XS7 · Crystal structure of human VPS29 complexed with rapid-derived cyclic peptide rt-D2 · 48V B0 · binds LYS173, DTY1, THR2, THR3, ARG14, ILE15, ARG16
  • 6XS8 · Crystal structure of chaetomium thermophilum VPS29 complexed with rapid-derived cyclic… · 48V B0 · binds DTY1, ALA12
  • 6XS9 · Crystal structure of human VPS29 complexed with rapid-derived cyclic peptide rt-L1 · 48V C0 · binds TYR1, ASN11, GLY14
  • 6XSA · Crystal structure of human VPS29 complexed with rapid-derived cyclic peptide rt-L2 · 48V B0 · binds TYR1, LEU11, TRP12, HIS13, PRO14, LEU15
  • 6YW1 · Hif prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with 2OG and rapid- derived silent… · 48V B0 · binds DTY1, VAL2, SER11, ARG12, THR13
  • 6YW2 · Hif prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with bicyclic FG2216 and rapid-derived… · 48V B0 · binds DTY1, VAL2, SER11, ARG12, THR13
  • 6YW3 · Hif prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with N-oxalyl glycine (nog), hif-1ALPHA… · 48V B0 · binds LYS186, DTY1, VAL2, SER11, ARG12, THR13
  • 6YW4 · Hif prolyl hydroxylase 2 (PHD2/ EGLN1) in complex with N-oxalylglycine (nog) and a… · 48V B0 · binds DTY1, VAL2, SER11, ARG12, THR13
  • 7MP3 · GRB7-SH2 domain in complex with bicyclic peptide B8 · 48V L101 · binds ARG462, LYS1, PHE9, PRO10

Residues it binds most

ASP 13, LYS 17, ASN 16, GLU 12, ARG 11, GLN 12, DTY 10, PHE 10, THR 9, TYR 8 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • MN · Manganese (II) ion
  • OGA · N-oxalylglycine
  • CL · Chloride ion
  • SO4 · Sulfate ion
  • NI · Nickel (II) ion
  • ZN · Zinc ion
  • FMT · Formic acid
  • 99Y · 4-carboxy-D-phenylalanine
  • AKG · 2-oxoglutaric acid
  • BCT · Bicarbonate ion
  • O4B · 1,4,7,10,13,16-hexaoxacyclooctadecane

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