Structure of PDB 6on4 Chain A Binding Site BS01

Receptor Information
>6on4 Chain A (length=217) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KKLSEMVEEELEQMIRRREFGEGEQLPSERELMAFFNVGRPSVREALAAL
KRKGLVQINNGERARVSRPSADTIIGELSGMAKDFLSHPGGIAHFEQLRL
FFESSLVRYAAEHATDEQIDLLAKALEINSQSLDNNAAFIRSDVDFHRVL
AEIPGNPIFMAIHVALLDWLIAARPTVTDQALHEHNNVSYQQHIAIVDAI
RRHDPDEADRALQSHLN
Ligand information
Ligand IDSLB
InChIInChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11-/m0/s1
InChIKeySQVRNKJHWKZAKO-PFQGKNLYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)O)O)O
CACTVS 3.341CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)CO)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O
ACDLabs 10.04O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
CACTVS 3.341CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O
FormulaC11 H19 N O9
NameN-acetyl-beta-neuraminic acid;
N-acetylneuraminic acid;
sialic acid;
O-sialic acid;
5-N-ACETYL-BETA-D-NEURAMINIC ACID;
BETA-SIALIC ACID
ChEMBLCHEMBL165084
DrugBankDB04265
ZINCZINC000003793840
PDB chain6on4 Chain A 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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PDB6on4 Control of the Escherichia coli sialoregulon by transcriptional repressor NanR.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		R128 D172 H176 I200 R203 H214 S218 H244
Binding residue
(residue number reindexed from 1)		R99 D143 H147 I171 R174 H185 S189 H215
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001046 core promoter sequence-specific DNA binding
GO:0001217 DNA-binding transcription repressor activity
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0042803 protein homodimerization activity
Biological Process
GO:0006351 DNA-templated transcription
GO:0006355 regulation of DNA-templated transcription
GO:0031334 positive regulation of protein-containing complex assembly
GO:0045892 negative regulation of DNA-templated transcription
GO:2000143 negative regulation of DNA-templated transcription initiation

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6on4, PDBe:6on4, PDBj:6on4
PDBsum6on4
PubMed23935044
UniProtP0A8W0|NANR_ECOLI HTH-type transcriptional repressor NanR (Gene Name=nanR)

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