Structure of PDB 5xnh Chain A Binding Site BS02

Receptor Information
>5xnh Chain A (length=340) 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
NIEIFTFDLRPDYALHKFDTFITDPPETVEAIRAFVGRGIATLKGPGCAG
YFGITRRESSLDKWREIQRVLLNEFGVVITDIIRNFNEYVNWGYVEETRA
WRLLPIKVKPSYNWYKSYMFRIQTLEGSKGFEDDEESSTT
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 chain5xnh Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5xnh Active site geometry of a novel aminopropyltransferase for biosynthesis of hyperthermophile-specific branched-chain polyamine.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		D126 D225 P226 E228 G254 W293 Y295 T352
Binding residue
(residue number reindexed from 1)		D128 D224 P225 E227 G253 W292 Y294 T339
Annotation score5
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:5xnh, PDBe:5xnh, PDBj:5xnh
PDBsum5xnh
PubMed28881427
UniProtQ5JIZ3|BPSA_THEKO N(4)-bis(aminopropyl)spermidine synthase (Gene Name=bpsA)

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