Structure of PDB 6xxk Chain B Binding Site BS02

Receptor Information
>6xxk Chain B (length=337) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STQVRGYDFNRGVNYRALLEAFGTTGFQATNFGRAVQQVNAMIEKKLEPL
SQDEDQHADLTQSRRPLTSCTIFLGYTSNLISSGIRETIRYLVQHNMVDV
LVTTAGGVEEDLIKCLAPTYLGEFSLRGKELRENGINRIGNLLVPNENYC
KFEDWLMPILDQMVMEQNTEGVKWTPSKMIARLGKEINNPESVYYWAQKN
HIPVFSPALTDGSLGDMIFFHSYKNPGLVLDIVEDLRLINTQAIFAKCTG
MIILGGGVVKHHIANANLMRNGADYAVYINTAQEFDGSDSGARPDEAVSW
GKIRVDAQPVKVYADASLVFPLLVAETFAQKMDAFMH
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 chain6xxk Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6xxk Half Way to Hypusine-Structural Basis for Substrate Recognition by Human Deoxyhypusine Synthase.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		H288 N292 D316 E323 W327
Binding residue
(residue number reindexed from 1)		H261 N265 D289 E296 W300
Annotation score5
Binding affinityMOAD: Kd=4uM
Enzymatic activity
Enzyme Commision number 2.5.1.46: deoxyhypusine synthase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016740 transferase activity
GO:0034038 deoxyhypusine synthase activity
GO:0042802 identical protein binding
Biological Process
GO:0006412 translation
GO:0008216 spermidine metabolic process
GO:0008284 positive regulation of cell population proliferation
GO:0008612 peptidyl-lysine modification to peptidyl-hypusine
GO:0042102 positive regulation of T cell proliferation
GO:0042593 glucose homeostasis
GO:0046203 spermidine catabolic process
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:6xxk, PDBe:6xxk, PDBj:6xxk
PDBsum6xxk
PubMed32235505
UniProtP49366|DHYS_HUMAN Deoxyhypusine synthase (Gene Name=DHPS)

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