Structure of PDB 8bj3 Chain B Binding Site BS01

Receptor Information
>8bj3 Chain B (length=359) Species: 3880 (Medicago truncatula) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SFIRQHLRKLAPYQPILPFEVLSSRLGRKPEDIVKLDANENPYGPPPEVM
EALGSIRFPYVYPDPESRRLRAALAQDSGLESEYILVGCGADELIDLIMR
CVLDPGDKIVDCPPTFTMYEFDAAVNGALVIKVPRRPDFSLNVEQIIEVV
KQEKPKCIFLTSPNNPDGSIIDDDDLLKILELPILVVLDEAYIEFSTIES
KMSWVKKHDNLIVLRTFSKRAGLAGLRVGYGAFPLSIIKYLWRAKQPYNV
SVAAEISACAALQNPTYLENVKDALVKERGRLFDLLKAVPFLKPFPSHSN
FILCEVTSGVDPKKLKEDLAEMGVMIRHYSNKELKGYVRVSVGKPEHTDV
LMNCISRLS
Ligand information
Ligand IDQNX
InChIInChI=1S/C14H22N4O9P2/c1-9-14(19)13(10(3-16-9)6-26-28(20,21)22)5-17-12(7-27-29(23,24)25)2-11-4-15-8-18-11/h3-4,8,12,17,19H,2,5-7H2,1H3,(H,15,18)(H2,20,21,22)(H2,23,24,25)/t12-/m0/s1
InChIKeyWJUXYPJSYWWQCX-LBPRGKRZSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CO[P](O)(O)=O)Cc2c[nH]cn2)c1O
OpenEye OEToolkits 3.1.0.0Cc1c(c(c(cn1)COP(=O)(O)O)CNC(Cc2c[nH]cn2)COP(=O)(O)O)O
OpenEye OEToolkits 3.1.0.0Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](Cc2c[nH]cn2)COP(=O)(O)O)O
CACTVS 3.385Cc1ncc(CO[P](O)(O)=O)c(CN[C@H](CO[P](O)(O)=O)Cc2c[nH]cn2)c1O
FormulaC14 H22 N4 O9 P2
Name[(2~{S})-3-(1~{H}-imidazol-4-yl)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]propyl] dihydrogen phosphate
ChEMBL
DrugBank
ZINC
PDB chain8bj3 Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8bj3 Insights into the substrate specificity, structure, and dynamics of plant histidinol-phosphate aminotransferase (HISN6).
Resolution1.61 Å
Binding residue
(original residue number in PDB)		Y87 Y273
Binding residue
(residue number reindexed from 1)		Y62 Y248
Annotation score2
Enzymatic activity
Enzyme Commision number 2.6.1.9: histidinol-phosphate transaminase.
Gene Ontology
Molecular Function
GO:0004400 histidinol-phosphate transaminase activity
GO:0008483 transaminase activity
GO:0030170 pyridoxal phosphate binding
Biological Process
GO:0000105 L-histidine biosynthetic process
GO:0008652 amino acid biosynthetic process
GO:0009058 biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8bj3, PDBe:8bj3, PDBj:8bj3
PDBsum8bj3
PubMed36842242
UniProtA0A072U7F9

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