Structure of PDB 5h8j Chain D Binding Site BS01

Receptor Information
>5h8j Chain D (length=298) Species: 3880 (Medicago truncatula) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKGRKVVVSALQFACTDDVSTNVTTAERLVRAAHKQGANIVLIQELFEGY
YFCQAQREDFIQRAKPYKDHPTIMRLQKLAKELGVVIPVSFFEEANNAHY
NSIAIIDADGTDLGIYRKSHIPDGPGYEEKFYFNPGDTGFKVFQTKYAKI
GVAICWDQWFPEAARAMALQGAEILFYPTAIGSEPHDQSIDSRDHWKRVM
QGHAGANLVPLVASNRIGNEIIETEHGKSEIKFYGNSFIAGPTGEIVSIA
DDKEEAVLIAEFNLDKIKSMRHCWGVFRDRRPDLYKVLLTLDGKNPVL
Ligand information
Ligand IDN2P
InChIInChI=1S/C5H14N2/c6-4-2-1-3-5-7/h1-7H2
InChIKeyVHRGRCVQAFMJIZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		NCCCCCN
OpenEye OEToolkits 1.5.0C(CCN)CCN
FormulaC5 H14 N2
NamePENTANE-1,5-DIAMINE
ChEMBLCHEMBL119296
DrugBankDB03854
ZINCZINC000001529253
PDB chain5h8j Chain D Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5h8j Structural Investigations of N-carbamoylputrescine Amidohydrolase from Medicago truncatula: Insights into the Ultimate Step of Putrescine Biosynthesis in Plants.
Resolution2.19 Å
Binding residue
(original residue number in PDB)		P125 Y130 C158 A183 E187
Binding residue
(residue number reindexed from 1)		P122 Y127 C155 A180 E184
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) E48 N104 K121 C158 A183
Catalytic site (residue number reindexed from 1) E45 N101 K118 C155 A180
Enzyme Commision number 3.5.1.53: N-carbamoylputrescine amidase.
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0050126 N-carbamoylputrescine amidase activity
Biological Process
GO:0006596 polyamine biosynthetic process
GO:0033388 putrescine biosynthetic process from arginine

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5h8j, PDBe:5h8j, PDBj:5h8j
PDBsum5h8j
PubMed27066023
UniProtG7ITU5

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