Structure of PDB 1sxg Chain B Binding Site BS01

Receptor Information
>1sxg Chain B (length=273) Species: 1404 (Priestia megaterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTTVGVIIPDISNIFYAELARGIEDIATMYKYNIILSNSDQNQDKELHLL
NNMLGKQVDGIIFMSGNVTEEHVEELKKSPVPVVLAASIESTNQIPSVTI
DYEQAAFDAVQSLIDSGHKNIAFVSGTLEEPINHAKKVKGYKRALTESGL
PVRDSYIVEGDYTYDSGIEAVEKLLEEDEKPTAIFVGTDEMALGVIHGAQ
DRGLNVPNDLEIIGFDNTRLSTMVRPQLTSVVQPMYDIGAVAMRLLTKYM
NKETVDSSIVQLPHRIEFRQSTK
Ligand information
Ligand ID171
InChIInChI=1S/C8H11NO3S/c10-13(11,12)7-6-9-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,10,11,12)
InChIKeyIAVHKMVGTPXJIC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[S](=O)(=O)CCNc1ccccc1
ACDLabs 10.04O=S(=O)(O)CCNc1ccccc1
OpenEye OEToolkits 1.5.0c1ccc(cc1)NCCS(=O)(=O)O
FormulaC8 H11 N O3 S
Name2-PHENYLAMINO-ETHANESULFONIC ACID
ChEMBL
DrugBankDB02283
ZINCZINC000002170599
PDB chain1sxg Chain B Residue 5256 [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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PDB1sxg Structural studies on the apo transcription factor form B. megaterium
Resolution2.75 Å
Binding residue
(original residue number in PDB)		Y295 R303
Binding residue
(residue number reindexed from 1)		Y236 R244
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:1sxg, PDBe:1sxg, PDBj:1sxg
PDBsum1sxg
PubMed15369672
UniProtP46828|CCPA_PRIMG Catabolite control protein A (Gene Name=ccpA)

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