Structure of PDB 4xqc Chain A Binding Site BS03

Receptor Information
>4xqc Chain A (length=475) Species: 1079 (Blastochloris viridis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DWPVYHRIDGPIVMIGFGSIGRGTLPLIERHFAFDRSKLVVIDPSDEARK
LAEARGVRFIQQAVTRDNYRELLVPLLTAGPGQGFCVNLSVDTSSLDIME
LARENGALYIDTVVEPWLGFYFDPDLKPEARSNYALRETVLAARRNKPGG
TTAVSCCGANPGMVSWFVKQALVNLAADLGVTGEEPTTREEWARLAMDLG
VKGIHIAERDTQRASFPKPFDVFVNTWSVEGFVSEGLQPAELGWGTFERW
MPDNARGHDSGCGAGIYLLQPGANTRVRSWTPTAMAQYGFLVTHNESISI
ADFLTVRDAAGQAVYRPTCHYAYHPCNDAVLSLHEMFGSGKRQSDWRILD
ETEIVDGIDELGVLLYGHGKNAYWYGSQLSIEETRRIAPDQNATGLQVSS
AVLAGMVWALENPNAGIVEADDLDFRRCLEVQTPYLGPVVGVYTDWTPLA
GRPGLFPEDIDTSDPWQFRNVLVRD
Ligand information
Ligand ID13D
InChIInChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
InChIKeyXFNJVJPLKCPIBV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CN)CN
ACDLabs 10.04
CACTVS 3.341		NCCCN
FormulaC3 H10 N2
Name1,3-DIAMINOPROPANE
ChEMBLCHEMBL174324
DrugBank
ZINCZINC000005828682
PDB chain4xqc Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4xqc Comprehensive Structural Characterization of the Bacterial Homospermidine Synthase-an Essential Enzyme of the Polyamine Metabolism.
Resolution1.27 Å
Binding residue
(original residue number in PDB)		V93 E117 E232 G233 S236
Binding residue
(residue number reindexed from 1)		V91 E115 E230 G231 S234
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.44: homospermidine synthase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0047296 homospermidine synthase activity
GO:0050514 homospermidine synthase (spermidine-specific) activity

View graph for
Molecular Function
External links
PDB RCSB:4xqc, PDBe:4xqc, PDBj:4xqc
PDBsum4xqc
PubMed26776105
UniProtO32323|HSS_BLAVI Homospermidine synthase (Gene Name=hss)

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