Structure of PDB 2b4b Chain A Binding Site BS02

Receptor Information
>2b4b Chain A (length=168) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FVIRPATAADCSDILRLIKELARYEYMEEQVILTEKDLLEDGFGEHPFYH
CLVAEVPKEHWTPEGHSIVGFAMYYFTYDPWIGKLLYLEDFFVMSDYRGF
GIGSEILKNLSQVAMRCRCSSMHFLVAEWNEPSINFYKRRGASDLSSEEG
WRLFKIDKEYLLKMATEE
Ligand information
Ligand IDB33
InChIInChI=1S/C11H27N3/c1-3-7-13-9-6-11-14-10-5-8-12-4-2/h12-14H,3-11H2,1-2H3
InChIKeyZFYULDAPZWEGGQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCNCCCNCCCNCC
ACDLabs 10.04N(CCC)CCCNCCCNCC
FormulaC11 H27 N3
NameN-ETHYL-N-[3-(PROPYLAMINO)PROPYL]PROPANE-1,3-DIAMINE;
BE3
ChEMBL
DrugBankDB04633
ZINCZINC000012504444
PDB chain2b4b Chain B Residue 173 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2b4b Structures of wild-type and mutant human spermidine/spermine N1-acetyltransferase, a potential therapeutic drug target
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Q33 E92 L128
Binding residue
(residue number reindexed from 1)		Q30 E89 L125
Annotation score1
Enzymatic activity
Enzyme Commision number 2.3.1.57: diamine N-acetyltransferase.
Gene Ontology
Molecular Function
GO:0004145 diamine N-acetyltransferase activity
GO:0005515 protein binding
GO:0008080 N-acetyltransferase activity
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
GO:0019809 spermidine binding
GO:0042802 identical protein binding
Biological Process
GO:0001525 angiogenesis
GO:0006596 polyamine biosynthetic process
GO:0009447 putrescine catabolic process
GO:0032918 spermidine acetylation
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2b4b, PDBe:2b4b, PDBj:2b4b
PDBsum2b4b
PubMed16455797
UniProtP21673|SAT1_HUMAN Diamine acetyltransferase 1 (Gene Name=SAT1)

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