Structure of PDB 6w3p Chain A Binding Site BS01

Receptor Information
>6w3p Chain A (length=243) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPFTKTSLYESTLKNQTDLLKVTQSTVEDFRSTNQSFTRALEKDIANLPY
QSLITEENIINNVGPILKYYRHSINALNVYLGLNNGKVLLSQKSMPELRD
DLDIKTKDWYQEALKTNDIFVTPAYLDTVLKQYVITYSKAIYKDGKIIGV
LGVDIPSEDLQNLVAKTPGNTFLFDQKNKIFAATNKELLNPSIDHSPVLN
AYKLNGDNNFFSYKLNNEERLGACTKVFAYTACITESADIINK
Ligand information
Ligand IDSKJ
InChIInChI=1S/C7H15NO2/c1-3-4-5(2)6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t5-,6+/m1/s1
InChIKeyKWSUGULOZFMUDH-RITPCOANSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCC[CH](C)[CH](N)C(O)=O
CACTVS 3.385CCC[C@@H](C)[C@H](N)C(O)=O
OpenEye OEToolkits 2.0.7CCCC(C)C(C(=O)O)N
OpenEye OEToolkits 2.0.7CCC[C@@H](C)[C@@H](C(=O)O)N
FormulaC7 H15 N O2
Namebeta-methylnorleucine;
(2~{S},3~{R})-2-azanyl-3-methyl-hexanoic acid
ChEMBL
DrugBank
ZINCZINC000013355117
PDB chain6w3p Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB6w3p Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Resolution1.383 Å
Binding residue
(original residue number in PDB)		Y118 L128 K149 W151 Y167 D169 T170 V171 D196
Binding residue
(residue number reindexed from 1)		Y80 L90 K107 W109 Y125 D127 T128 V129 D154
Annotation score1
Binding affinityMOAD: Kd=294uM
Enzymatic activity
Enzyme Commision number ?
External links