Structure of PDB 1y9q Chain A Binding Site BS02

Receptor Information
>1y9q Chain A (length=178) Species: 666 (Vibrio cholerae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDVMFKSQIANQLKNLRKSRGLSLDATAQLTGVSKAMLGQIERGESSPTI
ATLWKIASGLEASFSAFFANDPQLLSSERSFPDDLNMKIHTLFPYAADTG
LEIFEITLLDHHQQMSSPHALGVIEYIHVLEGIMKVFFDEQWHELQQGEH
IRFFSDQPHGYAAVTEKAVFQNIVAYPR
Ligand information
Ligand IDMED
InChIInChI=1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m1/s1
InChIKeyFFEARJCKVFRZRR-SCSAIBSYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CSCC[CH](N)C(O)=O
CACTVS 3.341CSCC[C@@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CSCC[C@H](C(=O)O)N
OpenEye OEToolkits 1.5.0CSCCC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCSC
FormulaC5 H11 N O2 S
NameD-METHIONINE
ChEMBLCHEMBL1234268
DrugBankDB02893
ZINCZINC000001532766
PDB chain1y9q Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1y9q Crystal Structure of HTH_3 family Transcriptional Regulator from Vibrio cholerae
Resolution1.9 Å
Binding residue
(original residue number in PDB)		W57 F107 S119 H122 E128 Y164 N175
Binding residue
(residue number reindexed from 1)		W54 F104 S116 H119 E125 Y161 N172
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0046872 metal ion binding
Biological Process
GO:0006355 regulation of DNA-templated transcription

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1y9q, PDBe:1y9q, PDBj:1y9q
PDBsum1y9q
PubMed
UniProtQ9KQN0

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