Structure of PDB 5xnc Chain E Binding Site BS03

Receptor Information

>5xnc Chain E (length=353) Species: 69014 (Thermococcus kodakarensis KOD1)

SHMREIIERVKEKTTIPVYERTIENVLSAIQASGDVWRIVDLSEEPLPLV
VAVVTALYELGYVAFENNQVILTRKGKELVEKYGIGPRADYTCSHCQGRT
VEIDAFSELLEQFKEITRDRPEPAHQFDQAYVTPETTVARVALMHSRGDL
ENKEVFVLGDDDLTSVALMLSGLPKRIAVLDIDERLTKFIEKAADEIGYE
NIEIFTFDLRKPLPDYALHKFDTFITDPPETVEAIRAFVGRGIATLKGPG
CAGYFGITRRESSLDKWREIQRVLLNEFGVVITDIIRNFNEYVNWGYVEE
TRAWRLLPIKVKPSYNWYKSYMFRIQTLEGSKGFEDEITVGQELYDDEES
STT

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 5xnc Chain E Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5xnc Active site geometry of a novel aminopropyltransferase for biosynthesis of hyperthermophile-specific branched-chain polyamine.
• Resolution: 1.84 Å
• Binding residue (original residue number in PDB): C91 C94
• Binding residue (residue number reindexed from 1): C93 C96
• 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

Biological Process

• GO:0006596 polyamine biosynthetic process
• GO:0009058 biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:5xnc, PDBe:5xnc, PDBj:5xnc
• PDBsum: 5xnc
• PubMed: 28881427
• UniProt: Q5JIZ3|BPSA_THEKO N(4)-bis(aminopropyl)spermidine synthase (Gene Name=bpsA)