Structure of PDB 3ttm Chain B Binding Site BS01

Receptor Information

>3ttm Chain B (length=341) Species: 287 (Pseudomonas aeruginosa)

DNKVLHVYNWSDYIAPDTLEKFTKETGIKVVYDVYDSNEVLEAKLLAGKS
GYDVVVPSNSFLAKQIKAGVYQKLDKSKLPNWKNLNKDLMHTLEVSDPGN
EHAIPYMWGTIGIGYNPDKVKAAFGDNAPVDSWDLVFKPENIQKLKQCGV
SFLDSPTEILPAALHYLGYKPDTDNPKELKAAEELFLKIRPYVTYFHSSK
YISDLANGNICVAIGYSGDIYQAKSRAEEAKNKVTVKYNIPKEGAGSFFD
MVAIPKDAENTEGALAFVNFLMKPEIMAEITDVVQFPNGNAAATPLVSEA
IRNDPGIYPSEEVMKKLYTFPDLPAKTQRAMTRSWTKIKSG

Ligand information

• Ligand ID: PUT
• InChI: InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
• InChIKey: KIDHWZJUCRJVML-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(CCN)CN
  ACDLabs 10.04
  CACTVS 3.341: NCCCCN
• Formula: C4 H12 N2
• Name: 1,4-DIAMINOBUTANE;
  PUTRESCINE
• ChEMBL: CHEMBL46257
• DrugBank: DB01917
• ZINC: ZINC000005828633
• PDB chain: 3ttm Chain B Residue 367

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3ttm Structural Basis of Substrate Binding Specificity Revealed by the Crystal Structures of Polyamine Receptors SpuD and SpuE from Pseudomonas aeruginosa
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): W35 Y38 Y241 D244 F273 D275 F311
• Binding residue (residue number reindexed from 1): W10 Y13 Y216 D219 F248 D250 F286
• Annotation score: 1
• Binding affinity: MOAD: Kd=3nM

Gene Ontology

Molecular Function

• GO:0019808 polyamine binding
• GO:0019810 putrescine binding

Biological Process

• GO:0015846 polyamine transport

Cellular Component

• GO:0042597 periplasmic space

External links

• PDB: RCSB:3ttm, PDBe:3ttm, PDBj:3ttm
• PDBsum: 3ttm
• PubMed: 22300763
• UniProt: Q9I6J1|SPUD_PSEAE Putrescine-binding periplasmic protein SpuD (Gene Name=spuD)