Structure of PDB 4q11 Chain B Binding Site BS01

Receptor Information
>4q11 Chain B (length=126) Species: 529507 (Proteus mirabilis HI4320) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LHPTRGKLLKRFAQIGPYIREQQCQESQFFFDCLAVCVNKKVTPEKREFW
GWWMELERNGEQLIYYYQVGLFDKNGDWVNQVISKKDVIESIHETLIRFH
DFLQAAVSELEMTLVPDEKMSNFPLP
Ligand information
Ligand IDNHE
InChIInChI=1S/C8H17NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h8-9H,1-7H2,(H,10,11,12)
InChIKeyMKWKNSIESPFAQN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1CCC(CC1)NCCS(=O)(=O)O
CACTVS 3.341O[S](=O)(=O)CCNC1CCCCC1
ACDLabs 10.04O=S(=O)(O)CCNC1CCCCC1
FormulaC8 H17 N O3 S
Name2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID;
N-CYCLOHEXYLTAURINE;
CHES
ChEMBL
DrugBankDB03309
ZINCZINC000001710230
PDB chain4q11 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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PDB4q11 Structural and functional features of Crl proteins and identification of conserved surface residues required for interaction with the RpoS/ sigma S subunit of RNA polymerase.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		P21 Y22 C37 L38 R102
Binding residue
(residue number reindexed from 1)		P17 Y18 C33 L34 R98
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0045893 positive regulation of DNA-templated transcription
Cellular Component
GO:0005737 cytoplasm

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Biological Process
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Cellular Component
External links
PDB RCSB:4q11, PDBe:4q11, PDBj:4q11
PDBsum4q11
PubMed25056110
UniProtB4EUU9

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