Structure of PDB 3ttm Chain A Binding Site BS01

Receptor Information
>3ttm Chain A (length=341) Species: 287 (Pseudomonas aeruginosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DNKVLHVYNWSDYIAPDTLEKFTKETGIKVVYDVYDSNEVLEAKLLAGKS
GYDVVVPSNSFLAKQIKAGVYQKLDKSKLPNWKNLNKDLMHTLEVSDPGN
EHAIPYMWGTIGIGYNPDKVKAAFGDNAPVDSWDLVFKPENIQKLKQCGV
SFLDSPTEILPAALHYLGYKPDTDNPKELKAAEELFLKIRPYVTYFHSSK
YISDLANGNICVAIGYSGDIYQAKSRAEEAKNKVTVKYNIPKEGAGSFFD
MVAIPKDAENTEGALAFVNFLMKPEIMAEITDVVQFPNGNAAATPLVSEA
IRNDPGIYPSEEVMKKLYTFPDLPAKTQRAMTRSWTKIKSG
Ligand information
Ligand IDPUT
InChIInChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2
InChIKeyKIDHWZJUCRJVML-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CCN)CN
ACDLabs 10.04
CACTVS 3.341		NCCCCN
FormulaC4 H12 N2
Name1,4-DIAMINOBUTANE;
PUTRESCINE
ChEMBLCHEMBL46257
DrugBankDB01917
ZINCZINC000005828633
PDB chain3ttm Chain A Residue 367 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ttm Structural Basis of Substrate Binding Specificity Revealed by the Crystal Structures of Polyamine Receptors SpuD and SpuE from Pseudomonas aeruginosa
Resolution2.0 Å
Binding residue
(original residue number in PDB)		W35 S36 D37 Y38 Y241 D244 F273 D275 F311
Binding residue
(residue number reindexed from 1)		W10 S11 D12 Y13 Y216 D219 F248 D250 F286
Annotation score1
Binding affinityMOAD: Kd=3nM
PDBbind-CN: -logKd/Ki=8.52,Kd=3.0nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0019808 polyamine binding
GO:0019810 putrescine binding
Biological Process
GO:0015846 polyamine transport
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3ttm, PDBe:3ttm, PDBj:3ttm
PDBsum3ttm
PubMed22300763
UniProtQ9I6J1|SPUD_PSEAE Putrescine-binding periplasmic protein SpuD (Gene Name=spuD)

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