Structure of PDB 6w3s Chain B Binding Site BS01
Receptor Information
>6w3s Chain B (length=252) Species:
197
(Campylobacter jejuni) [
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GIDPFTKTSLYESTLKNQTDLLKVTQSTVEDFRSTNQSFTRALEKDIANL
PYQSLITEENIINNVGPILKYYRHSINALNVYLGLNNGKVLLSQKSAKMP
ELRDDLDIKTKDWYQEALKTNDIFVTPAYLDTVLKQYVITYSKAIYKDGK
IIGVLGVDIPSEDLQNLVAKTPGNTFLFDQKNKIFAATNKELLNPSIDHS
PVLNAYKLNGDNNFFSYKLNNEERLGACTKVFAYTACITESADIINKPIY
KA
Ligand information
Ligand ID
LEU
InChI
InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
InChIKey
ROHFNLRQFUQHCH-YFKPBYRVSA-N
SMILES
Software
SMILES
OpenEye OEToolkits 1.5.0
CC(C)C[C@@H](C(=O)O)N
CACTVS 3.341
CC(C)C[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0
CC(C)CC(C(=O)O)N
ACDLabs 10.04
O=C(O)C(N)CC(C)C
CACTVS 3.341
CC(C)C[CH](N)C(O)=O
Formula
C6 H13 N O2
Name
LEUCINE
ChEMBL
CHEMBL291962
DrugBank
DB00149
ZINC
ZINC000003645145
PDB chain
6w3s Chain B Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
6w3s
Structure-Activity Relationship Study Reveals the Molecular Basis for Specific Sensing of Hydrophobic Amino Acids by theCampylobacter jejuniChemoreceptor Tlp3.
Resolution
1.4 Å
Binding residue
(original residue number in PDB)
Y118 K149 W151 Y167 D169 T170 D196
Binding residue
(residue number reindexed from 1)
Y82 K111 W113 Y129 D131 T132 D158
Annotation score
4
Enzymatic activity
Enzyme Commision number
?
External links
PDB
RCSB:6w3s
,
PDBe:6w3s
,
PDBj:6w3s
PDBsum
6w3s
PubMed
32403336
UniProt
Q0P864
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