Structure of PDB 5xnc Chain F Binding Site BS03

Receptor Information
>5xnc Chain F (length=353) Species: 69014 (Thermococcus kodakarensis KOD1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMREIIERVKEKTTIPVYERTIENVLSAIQASGDVWRIVDLSEEPLPLV
VAVVTALYELGYVAFENNQVILTRKGKELVEKYGIGPRADYTCSHCQGRT
VEIDAFSELLEQFKEITRDRPEPAHQFDQAYVTPETTVARVALMHSRGDL
ENKEVFVLGDDDLTSVALMLSGLPKRIAVLDIDERLTKFIEKAADEIGYE
NIEIFTFDLRKPLPDYALHKFDTFITDPPETVEAIRAFVGRGIATLKGPG
CAGYFGITRRESSLDKWREIQRVLLNEFGVVITDIIRNFNEYVNWGYVEE
TRAWRLLPIKVKPSYNWYKSYMFRIQTLEGSKGFEDEITVGQELYDDEES
STT
Ligand information
Ligand IDN4P
InChIInChI=1S/C10H26N4/c11-5-1-2-8-14(9-3-6-12)10-4-7-13/h1-13H2
InChIKeyCAARYRKDWMNHCB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4C(CCN(CCCN)CCCN)CN
CACTVS 3.385NCCCCN(CCCN)CCCN
FormulaC10 H26 N4
NameN,N-bis(3-aminopropyl)butane-1,4-diamine;
N4-aminopropylspermidine
ChEMBL
DrugBank
ZINC
PDB chain5xnc Chain F Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xnc Active site geometry of a novel aminopropyltransferase for biosynthesis of hyperthermophile-specific branched-chain polyamine.
Resolution1.84 Å
Binding residue
(original residue number in PDB)		D126 A128 D159 D160 D225 P226 E228 G254 Y290 W293 Y295 Y316 T350
Binding residue
(residue number reindexed from 1)		D128 A130 D161 D162 D227 P228 E230 G256 Y292 W295 Y297 Y318 T352
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.128: N(4)-bis(aminopropyl)spermidine synthase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
Biological Process
GO:0006596 polyamine biosynthetic process
GO:0009058 biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5xnc, PDBe:5xnc, PDBj:5xnc
PDBsum5xnc
PubMed28881427
UniProtQ5JIZ3|BPSA_THEKO N(4)-bis(aminopropyl)spermidine synthase (Gene Name=bpsA)

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