Structure of PDB 6y87 Chain C Binding Site BS02

Receptor Information
>6y87 Chain C (length=454) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPPQRIVFVGLGTIAQSFLPLLSKVHDLSTLEIYAIDPKTPPLIEYFANS
FGLKFINSAIDQINYRDILVPILGEGTVLINLSTDVSSLALIELCRSAGA
LYLDTCIEPWKGGYDDPTIPLHKRTNYHLREQMLSLKKRLGSGVTALVAH
GANPGLVSHFVKRALLDLAEEILGDCKKPSNKEQWAILSQRLGVKVIHVA
EYDSQISQKSRERGEFVNTWSVHGFISESQQPAELGWGSHERSLPTDASM
HTDGCGAAIYIEKPGASVRVKTWTPFNGPSLGYLVTHHEAISIADFLTLR
TADETYRPTVHYAYRPSDEAILSVHEWFGNDCMTPEKTKVLRPGDILSGS
DYLGVLLMGHEKSSYWYGSILSIEKAKELATLNTATTLQVAAGVLSGYLW
ILSHPSAGIIEAEDMDHEVALSYISQYLGELKGVYSDWNPTKNDSPWLFS
NFVL
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 C Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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 H292
Binding residue
(residue number reindexed from 1)		N153 E201 W220 H287
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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