Structure of PDB 6f9g Chain A Binding Site BS01

Receptor Information
>6f9g Chain A (length=261) Species: 160488 (Pseudomonas putida KT2440) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SARQRLQAHAETQALRIQRYFMDAYQYGNGFARLVQVLKDRGGSDLRAEL
TRQARASLAGNPDVIGLYLVFQPNALDQQDSHYLGQDAMGSNESGRFSLY
WSQPSPGTLELEAMPETMLGDTSIGSNGAAKNRWLTCPQDTARTCMLEPY
LDEVNGRQVLMTSIALPLLEHGKVVGVVGLDIGLANLQQLSVNGRRDLFD
GQGQVSIATAAGLLAGNSRDDSVLGKPMDKSVADGLLRVAHPFTPIPDTA
PWQVVLELPES
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 chain6f9g Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6f9g Structural Basis for Polyamine Binding at the dCACHE Domain of the McpU Chemoreceptor from Pseudomonas putida.
Resolution2.388 Å
Binding residue
(original residue number in PDB)		Y152 M166 M170 W186 Y202 D204 D233
Binding residue
(residue number reindexed from 1)		Y100 M114 M118 W134 Y150 D152 D181
Annotation score1
Binding affinityMOAD: Kd=2uM
PDBbind-CN: -logKd/Ki=5.70,Kd=2uM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6f9g, PDBe:6f9g, PDBj:6f9g
PDBsum6f9g
PubMed29758259
UniProtQ88NI1|MCPU_PSEPK Methyl-accepting chemotaxis protein McpU (Gene Name=mcpU)

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