Structure of PDB 7xif Chain F Binding Site BS02

Receptor Information
>7xif Chain F (length=286) Species: 181486 (Pyrobaculum calidifontis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VPGPITLIEPLSGNTSLLIKINAIHSVKKSPYQEIIIADTEDYGRVLILD
DYIQSSYVDEQYYHESLVHPAMATHPNPRDVLILGGGEGATLREALKHGT
VKRAVMVDIDRDVVELSRAYLPQMHQGAFDDPRAKVVIQDGFVYVEEAIK
AGDKYDVIIMDLTDPYSSDIAKQLYTREFFAKIRRILNDDGVVVTQAGNS
FYFPAEYDMVLEGVKANFPIVAEYEVWIPSFGYAVNFILGSLRYDPHALT
PSEVDERLRARGVKTAFYTGRVHLALMNMPIHRKLR
Ligand information
Ligand IDTER
InChIInChI=1S/C10H26N4/c11-5-1-2-7-13-9-4-10-14-8-3-6-12/h13-14H,1-12H2
InChIKeyDODDBCGMRAFLEB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CCNCCCNCCCN)CN
ACDLabs 10.04N(CCCCN)CCCNCCCN
CACTVS 3.341NCCCCNCCCNCCCN
FormulaC10 H26 N4
NameN-(3-AMINO-PROPYL)-N-(5-AMINOPROPYL)-1,4-DIAMINOBUTANE;
THERMOSPERMINE;
PA(334)
ChEMBLCHEMBL151993
DrugBank
ZINCZINC000027564039
PDB chain7xif Chain F Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7xif Substrate Specificity of an Aminopropyltransferase and the Biosynthesis Pathway of Polyamines in the Hyperthermophilic Crenarchaeon Pyrobaculum calidifontis.
Resolution2.14 Å
Binding residue
(original residue number in PDB)		E12 I56 Q57 Y66 H67 E91 D164 L165 D167 Q199 F234 Y236
Binding residue
(residue number reindexed from 1)		E9 I53 Q54 Y63 H64 E88 D161 L162 D164 Q196 F231 Y233
Annotation score4
Enzymatic activity
Enzyme Commision number 2.5.1.16: spermidine synthase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004766 spermidine synthase activity
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
Biological Process
GO:0006596 polyamine biosynthetic process
GO:0008295 spermidine 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:7xif, PDBe:7xif, PDBj:7xif
PDBsum7xif
PubMed
UniProtA3MU81|SPEE_PYRCJ Polyamine aminopropyltransferase (Gene Name=speE)

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