Structure of PDB 5t95 Chain A Binding Site BS02

Receptor Information

>5t95 Chain A (length=249) Species: 3847 (Glycine max)

SLKIGIVGFGNFGQFLAKTMIKQGHTLTATSRSDYSELCLQMGIHFFRDV
SAFLTADIDVIVLCTSILSLSEVVGSMPLTSLKRPTLFVDVLSVKEHPRE
LLLRELPEDSDILCTHPMFGPQTAKNGWTDHTFMYDKVRIRDEVICSNFI
QIFATEGCKMVQMSCEEHDRAAAKSQFITHTIGRTLGEMDIQSTPIDTKG
FETLVKLKETTMRDSFDLYSGLFVYNRFARQELENLEHALHKVKETLMI

Ligand information

• Ligand ID: TYR
• InChI: InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
• InChIKey: OUYCCCASQSFEME-QMMMGPOBSA-N
• SMILES:
  ACDLabs 10.04: O=C(O)C(N)Cc1ccc(O)cc1
  OpenEye OEToolkits 1.5.0: c1cc(ccc1C[C@@H](C(=O)O)N)O
  OpenEye OEToolkits 1.5.0: c1cc(ccc1CC(C(=O)O)N)O
  CACTVS 3.341: N[CH](Cc1ccc(O)cc1)C(O)=O
  CACTVS 3.341: N[C@@H](Cc1ccc(O)cc1)C(O)=O
• Formula: C9 H11 N O3
• Name: TYROSINE
• ChEMBL: CHEMBL925
• DrugBank: DB00135
• ZINC: ZINC000000266964
• PDB chain: 5t95 Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5t95 Molecular basis of the evolution of alternative tyrosine biosynthetic routes in plants.
• Resolution: 1.689 Å
• Binding residue (original residue number in PDB): S101 H124 G128 Q130 T131 Q184 D222
• Binding residue (residue number reindexed from 1): S93 H116 G120 Q122 T123 Q176 D214
• Annotation score: 1
• Binding affinity: MOAD: ic50=5.9mM

Enzymatic activity

• Enzyme Commision number: 1.3.1.13: prephenate dehydrogenase (NADP(+)).

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004665 prephenate dehydrogenase (NADP+) activity
• GO:0008977 prephenate dehydrogenase (NAD+) activity
• GO:0016491 oxidoreductase activity
• GO:0033730 arogenate dehydrogenase (NADP+) activity
• GO:0070403 NAD+ binding

Biological Process

• GO:0006571 tyrosine biosynthetic process

External links

• PDB: RCSB:5t95, PDBe:5t95, PDBj:5t95
• PDBsum: 5t95
• PubMed: 28671678
• UniProt: I1MYY4