Structure of PDB 6j27 Chain D Binding Site BS03

Receptor Information

>6j27 Chain D (length=344) Species: 262724 (Thermus thermophilus HB27)

VNKEALVQVAEEVRRATGLPVGWRDVERTLGALRATRDLWEAVRLSRVPL
RFLVPIWEGLARRGLLRVEEGLDLLAEVPAPRPGEAACPACEGRGLVGER
LPGRAAERFLAWAKERPEAIQDFDQGYVTPESTLARVALAWNWGDLEGKE
VLVLGDDDLTGLAAALTGLPKRVVVLDADPRIVRFLERAAKAEGLPLEAH
VHDLREPLPEAWVHAFHTFFTDPVEGPLGLQAFVGRGLLALEGEGCAGYV
GLTHVEASLAKWADFQRFLLENGAVITELRDGFHVYENWGYIEQMRAWPW
LPVKRRPEKPWYTSALIRLELLRRADLENARVEGDLQDEEATTY

Ligand information

• Ligand ID: N4P
• InChI: InChI=1S/C10H26N4/c11-5-1-2-8-14(9-3-6-12)10-4-7-13/h1-13H2
• InChIKey: CAARYRKDWMNHCB-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 2.0.4: C(CCN(CCCN)CCCN)CN
  CACTVS 3.385: NCCCCN(CCCN)CCCN
• Formula: C10 H26 N4
• Name: N,N-bis(3-aminopropyl)butane-1,4-diamine;
  N4-aminopropylspermidine
• PDB chain: 6j27 Chain D Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6j27 The C-terminal flexible region of branched-chain polyamine synthase facilitates substrate specificity and catalysis.
• Resolution: 1.66 Å
• Binding residue (original residue number in PDB): D133 G135 D166 D167 D231 P232 E234 G260 W298 Y300 Y321 T352
• Binding residue (residue number reindexed from 1): D124 G126 D157 D158 D222 P223 E225 G251 W289 Y291 Y312 T343
• Annotation score: 1

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

External links

• PDB: RCSB:6j27, PDBe:6j27, PDBj:6j27
• PDBsum: 6j27
• PubMed: 31162806
• UniProt: Q72L89