Structure of PDB 3c6m Chain D Binding Site BS01

Receptor Information
>3c6m Chain D (length=278) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRHSTLDFMLLRIYPHGLVLLDLQSRVKRLPPIVRGGAIDRYWPTADGRL
VEYDIDEVVYDEDSPYQNIKILHSKQFGNILILSGDVNLAESDLAYTRAI
MGSGKEDYTGKDVLILGGGDGGILCEIVKLKPKMVTMVEIDQMVIDGCKK
YMRKTCGDVLDNLKGDCYQVLIEDCIPVLKRYAKEGREFDYVINDLTAVP
ISTSTWEFLRLILDLSMKVLKQDGKYFTQGNCVNLTEALSLYEEQLGRLY
CPVEFSKEIVCVPSYLELWVFYTVWKKA
Ligand information
Ligand IDSPM
InChIInChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
InChIKeyPFNFFQXMRSDOHW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		NCCCNCCCCNCCCN
OpenEye OEToolkits 1.5.0C(CCNCCCN)CNCCCN
FormulaC10 H26 N4
NameSPERMINE
ChEMBLCHEMBL23194
DrugBankDB00127
ZINCZINC000001532734
PDB chain3c6m Chain D Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3c6m Crystal structure of human spermine synthase: implications of substrate binding and catalytic mechanism.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		Y134 D167 V168 N169 Y177 D201 D276 Y351 E353 W355
Binding residue
(residue number reindexed from 1)		Y53 D86 V87 N88 Y96 D120 D195 Y265 E267 W269
Annotation score5
Enzymatic activity
Enzyme Commision number 2.5.1.22: spermine synthase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016768 spermine synthase activity
Biological Process
GO:0006555 methionine metabolic process
GO:0006595 polyamine metabolic process
GO:0006596 polyamine biosynthetic process
GO:0006597 spermine biosynthetic process
GO:0008215 spermine metabolic process
Cellular Component
GO:0005829 cytosol
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3c6m, PDBe:3c6m, PDBj:3c6m
PDBsum3c6m
PubMed18367445
UniProtP52788|SPSY_HUMAN Spermine synthase (Gene Name=SMS)

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