Structure of PDB 6mni Chain B Binding Site BS01

Receptor Information
>6mni Chain B (length=251) Species: 103796 (Pseudomonas syringae pv. actinidiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSDFVDSSGREIRQVDNAMQLFFDGITQNVNYIAAHPLIAGAGDDFRNYM
GAVATAQSENDKQATELFASIAKAHPAYSYVSYGLINGSYIMTPEDPKMS
NYDPRVRPWYKTAMANAGKTVRSDAYYWANDDAVLVSTIRAIPNKLGNPG
GVVNIDVSLKQLTNIVKQIKLGESGYLMLMEKNGTVLVDPKQPEHNFKKL
GELGDGFAELAKTGSGLVELTLNGERYMANVYPSEQLGWNFIGLIKQDEV
M
Ligand information
Ligand IDPRO
InChIInChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m0/s1
InChIKeyONIBWKKTOPOVIA-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C[C@H](NC1)C(=O)O
CACTVS 3.341OC(=O)[C@@H]1CCCN1
CACTVS 3.341OC(=O)[CH]1CCCN1
OpenEye OEToolkits 1.5.0C1CC(NC1)C(=O)O
ACDLabs 10.04O=C(O)C1NCCC1
FormulaC5 H9 N O2
NamePROLINE
ChEMBLCHEMBL54922
DrugBankDB00172
ZINCZINC000000895360
PDB chain6mni Chain B 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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PDB6mni Structure of a double CACHE chemoreceptor ligand-binding domain from Pseudomonas syringae provides insights into the basis of proline recognition.
Resolution1.696 Å
Binding residue
(original residue number in PDB)		Y114 Y124 Y136 R141 W143 Y160 W162 L169 D190
Binding residue
(residue number reindexed from 1)		Y80 Y90 Y102 R107 W109 Y126 W128 L135 D156
Annotation score4
External links