Structure of PDB 6w3y Chain B Binding Site BS01
Receptor Information
>6w3y Chain B (length=251) Species:
197
(Campylobacter jejuni) [
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GIDPFTKTSLYESTLKNQTDLLKVTQSTVEDFRSTNQSFTRALEKDIANL
PYQSLITEENIINNVGPILKYYRHSINALNVYLGLNNGKVLLSQKSKMPE
LRDDLDIKTKDWYQEALKTNDIFVTPAYLDTVLKQYVITYSKAIYKDGKI
IGVLGVDIPSEDLQNLVAKTPGNTFLFDQKNKIFAATNKELLNPSIDHSP
VLNAYKLNGDNNFFSYKLNNEERLGACTKVFAYTACITESADIINKPIYK
A
Ligand information
Ligand ID
ALA
InChI
InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/t2-/m0/s1
InChIKey
QNAYBMKLOCPYGJ-REOHCLBHSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
CC(C(=O)O)N
CACTVS 3.341
C[CH](N)C(O)=O
ACDLabs 10.04
O=C(O)C(N)C
CACTVS 3.341
C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0
C[C@@H](C(=O)O)N
Formula
C3 H7 N O2
Name
ALANINE
ChEMBL
CHEMBL279597
DrugBank
DB00160
ZINC
ZINC000004658553
PDB chain
6w3y Chain B Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
6w3y
Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Resolution
1.32 Å
Binding residue
(original residue number in PDB)
Y118 K149 W151 Y167 D169 T170 D196
Binding residue
(residue number reindexed from 1)
Y82 K110 W112 Y128 D130 T131 D157
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:6w3y
,
PDBe:6w3y
,
PDBj:6w3y
PDBsum
6w3y
PubMed
32403336
UniProt
Q0P864
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