Structure of PDB 6j27 Chain B Binding Site BS03

Receptor Information
>6j27 Chain B (length=344) Species: 262724 (Thermus thermophilus HB27) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VNKEALVQVAEEVRRATGLPVGWRDVERTLGALRATRDLWEAVRLSRVPL
RFLVPIWEGLARRGLLRVEEGLDLLAEVPAPRPGEAACPACEGRGLVGER
LPGRAAERFLAWAKERPEAIQDFDQGYVTPESTLARVALAWNWGDLEGKE
VLVLGDDDLTGLAAALTGLPKRVVVLDADPRIVRFLERAAKAEGLPLEAH
VHDLREPLPEAWVHAFHTFFTDPVEGPLGLQAFVGRGLLALEGEGCAGYV
GLTHVEASLAKWADFQRFLLENGAVITELRDGFHVYENWGYIEQMRAWPW
LPVKRRPEKPWYTSALIRLELLRRADLENARVEGDLQDEEATTY
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 chain6j27 Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6j27 The C-terminal flexible region of branched-chain polyamine synthase facilitates substrate specificity and catalysis.
Resolution1.66 Å
Binding residue
(original residue number in PDB)		D133 G135 D166 D167 D231 P232 E234 G260 W298 Y300 T352
Binding residue
(residue number reindexed from 1)		D124 G126 D157 D158 D222 P223 E225 G251 W289 Y291 T343
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
GO:0046872 metal ion binding
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:6j27, PDBe:6j27, PDBj:6j27
PDBsum6j27
PubMed31162806
UniProtQ72L89

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