Structure of PDB 6y87 Chain A Binding Site BS02

Receptor Information
>6y87 Chain A (length=470) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PMDFSINPPQRIVFVGLGTIAQSFLPLLSKVHDLSTLEIYAIDPKTPPLI
EYFANSFGLKFINSAIDQINYRDILVPILGEGTVLINLSTDVSSLALIEL
CRSAGALYLDTCIEPWKGGYDDPTIPLHKRTNYHLREQMLSLKKRLGSGV
TALVAHGANPGLVSHFVKRALLDLAEEILGDCKKPSNKEQWAILSQRLGV
KVIHVAEYDSQISQKSRERGEFVNTWSVHGFISESQQPAELGWGSHERSL
PTDASMHTDGCGAAIYIEKPGASVRVKTWTPFNGPSLGYLVTHHEAISIA
DFLTLRTADETYRPTVHYAYRPSDEAILSVHEWFGNDCMTPEKTKVLRPG
DILSGSDYLGVLLMGHEKSSYWYGSILSIEKAKELATLNTATTLQVAAGV
LSGYLWILSHPSAGIIEAEDMDHEVALSYISQYLGELKGVYSDWNPTKNN
PGTFSAIDSDSPWLFSNFVL
Ligand information
Ligand IDPUT
InChIInChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
InChIKeyKIDHWZJUCRJVML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CCN)CN
ACDLabs 10.04
CACTVS 3.341		NCCCCN
FormulaC4 H12 N2
Name1,4-DIAMINOBUTANE;
PUTRESCINE
ChEMBLCHEMBL46257
DrugBankDB01917
ZINCZINC000005828633
PDB chain6y87 Chain A Residue 502 [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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PDB6y87 Structural and catalytic characterization of Blastochloris viridis and Pseudomonas aeruginosa homospermidine synthases supports the essential role of cation-pi interaction.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		N158 E206 W225 E233 H292
Binding residue
(residue number reindexed from 1)		N159 E207 W226 E234 H293
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.44: homospermidine synthase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0016740 transferase activity
GO:0047296 homospermidine synthase activity

View graph for
Molecular Function
External links
PDB RCSB:6y87, PDBe:6y87, PDBj:6y87
PDBsum6y87
PubMed34605434
UniProtQ6X2Y9

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