Structure of PDB 2arc Chain A Binding Site BS01

Receptor Information
>2arc Chain A (length=161) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPLLPGYSFNAHLVAGLTPIEANGYLDFFIDRPLGMKGYILNLTIRGQGV
VKNQGREFVCRPGDILLFPPGEIHHYGRHPEAREWYHQWVYFRPRAYWHE
WLNWPSIFANTGFFRPDEAHQPHFSDLFGQIINAGQGEGRYSELLAINLL
EQLLLRRMEAI
Ligand information
Ligand IDARA
InChIInChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4+,5+/m0/s1
InChIKeySRBFZHDQGSBBOR-QMKXCQHVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1C(C(C(C(O1)O)O)O)O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O
CACTVS 3.341O[C@H]1CO[C@@H](O)[C@H](O)[C@H]1O
CACTVS 3.341O[CH]1CO[CH](O)[CH](O)[CH]1O
ACDLabs 10.04OC1C(O)COC(O)C1O
FormulaC5 H10 O5
Namealpha-L-arabinopyranose;
alpha-L-arabinose;
L-arabinose;
arabinose
ChEMBLCHEMBL505348
DrugBank
ZINCZINC000001532575
PDB chain2arc Chain A Residue 171 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB2arc Structural basis for ligand-regulated oligomerization of AraC.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		P8 L9 F15 T24 R38 I46 Y82 H93 W95
Binding residue
(residue number reindexed from 1)		P2 L3 F9 T18 R32 I40 Y76 H87 W89
Annotation score4
Binding affinityMOAD: Kd=1mM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006355 regulation of DNA-templated transcription

View graph for
Biological Process
External links
PDB RCSB:2arc, PDBe:2arc, PDBj:2arc
PDBsum2arc
PubMed9103202
UniProtP0A9E0|ARAC_ECOLI Arabinose operon regulatory protein (Gene Name=araC)

[Back to BioLiP]