Structure of PDB 7xjn Chain C Binding Site BS01

Receptor Information

>7xjn Chain C (length=319) Species: 243277 (Vibrio cholerae O1 biovar El Tor str. N16961)

KDQELYFYNWSEYIPSEVLEDFTKETGIKVIYSTYESNESMYAKLKTGYD
LVVPSTYFVSKMRKEGMLQEIDHSKLSHFKDLDPNYLNKPFDPGNKFSIP
YIWGATGIGINTDMLDKKSLKNWGDLWDAKWAGQLMLMDDAREVFHIALS
KLGYSPNTTNPKEIKAAYRELKKLMPNVLVFNSDFPANPYLAGEVSLGML
WNGSAYMARQEGAPIQIIWPEKGTIFWMDSISIPAGAKNIEAAHKMIDFL
LRPENAAKIALEIGYPTPVKTAHDLLPKEFANDPSIYPPQSVIDNGEWQD
EVGEASVLYDEYFQKLKVN

Ligand information

• Ligand ID: NSD
• InChI: InChI=1S/C6H17N3/c7-3-1-5-9-6-2-4-8/h9H,1-8H2
• InChIKey: OTBHHUPVCYLGQO-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.7.0: C(CN)CNCCCN
  ACDLabs 12.01
  CACTVS 3.370: NCCCNCCCN
• Formula: C6 H17 N3
• Name: N-(3-aminopropyl)propane-1,3-diamine
• ChEMBL: CHEMBL28743
• ZINC: ZINC000001529642
• PDB chain: 7xjn Chain C Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7xjn Structure of VcPotD1 in complex with norspermidine
• Resolution: 1.79 Å
• Binding residue (original residue number in PDB): W32 E34 Y35 S80 Y82 D165 E168 W226 W252 D254 Y290 Q324
• Binding residue (residue number reindexed from 1): W10 E12 Y13 S55 Y57 D140 E143 W201 W227 D229 Y265 Q299
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0019808 polyamine binding

Biological Process

• GO:0015846 polyamine transport

Cellular Component

• GO:0042597 periplasmic space

External links

• PDB: RCSB:7xjn, PDBe:7xjn, PDBj:7xjn
• PDBsum: 7xjn
• UniProt: Q9KS37