Structure of PDB 4xrg Chain A Binding Site BS05

Receptor Information
>4xrg Chain A (length=474) 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
MPDNARGHDSGCGAGIYLLQPGANTRVRSWTPTAMAQYGFLVTSNESISI
ADFLTVRDAAGQAVYRPTCHYAYHPCNDAVLSLHEMFGSGKRQSDWRILD
ETEIVDGIDELGVLLYGHGKNAYWYGSQLSIEETRRIAPDQNATGLQVSS
AVLAGMVWALENPNAGIVEADDLDFRRCLEVQTPYLGPVVGVYTDWTPLA
GRPGLFPEDIDTSDPWQFRNVLVR
Ligand information
Ligand ID1PS
InChIInChI=1S/C8H11NO3S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2
InChIKeyREEBJQTUIJTGAL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[O-][S](=O)(=O)CCC[n+]1ccccc1
ACDLabs 10.04[O-]S(=O)(=O)CCC[n+]1ccccc1
OpenEye OEToolkits 1.5.0c1cc[n+](cc1)CCCS(=O)(=O)[O-]
FormulaC8 H11 N O3 S
Name3-PYRIDINIUM-1-YLPROPANE-1-SULFONATE;
1-(3-SULFOPROPYL) PYRIDINIUM;
PPS
ChEMBL
DrugBank
ZINC
PDB chain4xrg Chain A Residue 505 [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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PDB4xrg Comprehensive Structural Characterization of the Bacterial Homospermidine Synthase-an Essential Enzyme of the Polyamine Metabolism.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		L239 M338 F339 G342 K343 R344
Binding residue
(residue number reindexed from 1)		L237 M336 F337 G340 K341 R342
Annotation score1
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:4xrg, PDBe:4xrg, PDBj:4xrg
PDBsum4xrg
PubMed26776105
UniProtO32323|HSS_BLAVI Homospermidine synthase (Gene Name=hss)

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