Structure of PDB 3c6k Chain B Binding Site BS01

Receptor Information
>3c6k Chain B (length=345) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRHSTLDFMLGDGETILKGLQSIFQEQGMAESVHTWQDHGYLATYTNKNG
SFANLRIYPHGLVLLDLQSYDQGKEEIDSILNKVEERMKELSRVKRLPPI
VRGGAIDRYWPTADGRLVEYDIDEVVYDEDSPYQNIKILHSKQFGNILIL
SGDVNLAESDLAYTRAIMGSGKEDYTGKDVLILGGGDGGILCEIVKLKPK
MVTMVEIDQMVIDGCKKYMRKVLDNLKGDCYQVLIEDCIPVLKRYAKEGR
EFDYVINDLTAVPISTSPSTWEFLRLILDLSMKVLKQDGKYFTQGNCVNL
TEALSLYEEQLGRLYCPVEFSKEIVCVPSYLELWVFYTVWKKAKP
Ligand information
Ligand IDSPD
InChIInChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
InChIKeyATHGHQPFGPMSJY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CCNCCCN)CN
ACDLabs 10.04NCCCNCCCCN
CACTVS 3.341NCCCCNCCCN
FormulaC7 H19 N3
NameSPERMIDINE;
N-(2-AMINO-PROPYL)-1,4-DIAMINOBUTANE;
PA(34)
ChEMBLCHEMBL19612
DrugBankDB03566
ZINCZINC000001532612
PDB chain3c6k Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3c6k Crystal structure of human spermine synthase: implications of substrate binding and catalytic mechanism.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D169 V170 N171 L279 Y353 E355 W357
Binding residue
(residue number reindexed from 1)		D153 V154 N155 L259 Y330 E332 W334
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:3c6k, PDBe:3c6k, PDBj:3c6k
PDBsum3c6k
PubMed18367445
UniProtP52788|SPSY_HUMAN Spermine synthase (Gene Name=SMS)

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