Structure of PDB 6s6g Chain B Binding Site BS02

Receptor Information
>6s6g Chain B (length=468) Species: 1079 (Blastochloris viridis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDWPVYHRIDGPIVMIGFGSIGRGTLPLIERHFAFDRSKLVVIDPSDEAR
KLAEARGVRFIQQAVTRDNYRELLVPLLTAGPGQGFCVNLSVDTSSLDIM
ELARENGALYIDTVVQPWLLKPEARSNYALRETVLAARRNKPGGTTAVSC
CGANPGMVSWFVKQALVNLAADLGVTGEEPTTREEWARLAMDLGVKGIHI
AERDTQRASFPKPFDVFVNTWSVEGFVSEGLQPAELGWGTFERWMPDNAR
GHDSGCGAGIYLLQPGANTRVRSWTPTAMAQYGFLVTHNESISIADFLTV
RDAAGQAVYRPTCHYAYHPCNDAVLSLHEMFGSGKRQSDWRILDETEIVD
GIDELGVLLYGHGKNAYWYGSQLSIEETRRIAPDQNATGLQVSSAVLAGM
VWALENPNAGIVEADDLDFRRCLEVQTPYLGPVVGVYTDWTPLAGRPGLF
PEDIDTSDPWQFRNVLVR
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 chain6s6g Chain B 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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PDB6s6g Structural and catalytic characterization of Blastochloris viridis and Pseudomonas aeruginosa homospermidine synthases supports the essential role of cation-pi interaction.
Resolution1.6 Å
Binding residue
(original residue number in PDB)		S47 D48 E49 W348
Binding residue
(residue number reindexed from 1)		S46 D47 E48 W340
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:6s6g, PDBe:6s6g, PDBj:6s6g
PDBsum6s6g
PubMed34605434
UniProtO32323|HSS_BLAVI Homospermidine synthase (Gene Name=hss)

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