Structure of PDB 6wjo Chain B Binding Site BS01

Receptor Information
>6wjo Chain B (length=76) Species: 681645 (Corynebacterium pseudotuberculosis C231) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REKLRKMLDDLLVSVDHSGNIAVLRTPPGGAPFLASFIDRVGMEEVVGTI
AGDDTVFVLARDPMTGQELGEFLSQR
Ligand information
Ligand IDTYR
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKeyOUYCCCASQSFEME-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)O
CACTVS 3.341N[CH](Cc1ccc(O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(O)cc1)C(O)=O
FormulaC9 H11 N O3
NameTYROSINE
ChEMBLCHEMBL925
DrugBankDB00135
ZINCZINC000000266964
PDB chain6wjo Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6wjo A single P115Q mutation modulates specificity in the Corynebacterium pseudotuberculosis arginine repressor.
Resolution1.693 Å
Binding residue
(original residue number in PDB)		P115 A118 S119 D122 T132 I133 A134
Binding residue
(residue number reindexed from 1)		P32 A35 S36 D39 T49 I50 A51
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003700 DNA-binding transcription factor activity
GO:0034618 arginine binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0051259 protein complex oligomerization

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Molecular Function
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Biological Process
External links
PDB RCSB:6wjo, PDBe:6wjo, PDBj:6wjo
PDBsum6wjo
PubMed32156582
UniProtD9QA55

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