Structure of PDB 6w3t Chain A Binding Site BS01

Receptor Information
>6w3t Chain A (length=244) Species: 197 (Campylobacter jejuni) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IDPFTKTSLYESTLKNQTDLLKVTQSTVEDFRSTNQSFTRALEKDIANLP
YQSLITEENIINNVGPILKYYRHSINALNVYLGLNNGKVLLSQKSMPELR
DDLDIKTKDWYQEALKTNDIFVTPAYLDTVLKQYVITYSKAIYKDGKIIG
VLGVDIPSEDLQNLVAKTPGNTFLFDQKNKIFAATNKELLNPSIDHSPVL
NAYKLNGDNNFFSYKLNNEERLGACTKVFAYTACITESADIINK
Ligand information
Ligand IDNVA
InChIInChI=1S/C5H11NO2/c1-2-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1
InChIKeySNDPXSYFESPGGJ-BYPYZUCNSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CCC[CH](N)C(O)=O
CACTVS 3.341CCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CCC[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCC
OpenEye OEToolkits 1.5.0CCCC(C(=O)O)N
FormulaC5 H11 N O2
NameNORVALINE
ChEMBLCHEMBL55612
DrugBankDB04185
ZINCZINC000000391821
PDB chain6w3t 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

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PDB6w3t Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Y118 K149 W151 Y167 D169 T170 D196
Binding residue
(residue number reindexed from 1)		Y81 K108 W110 Y126 D128 T129 D155
Annotation score1
Binding affinityMOAD: Kd=168uM
Enzymatic activity
Enzyme Commision number ?
External links