Structure of PDB 1pg6 Chain A Binding Site BS01

Receptor Information
>1pg6 Chain A (length=216) Species: 186103 (Streptococcus pyogenes MGAS8232) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RMRFTIDQNMQFPLVEIDLEHGGSVYLQQGSMVYHTENVTLNTKLNGLGK
LVGAIGRSMVSGESMFITQAMSNGDGKLALAPNTPGQIVALELGEKQYRL
NDGAFLALDGSAQYKMERQNIGGGLFVMTTEGLGTLLANSFGSIKKITLD
GGTMTIDNAHVVAWSRELDYDIHLENGFMQSIGTGEGVVNTFRGHGEIYI
QSLNLEQFAGTLKRYL
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1pg6 Chain A Residue 237 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1pg6 X-ray structure of hypothetical protein SPYM3_0169 from Streptococcus pyogenes
Resolution1.7 Å
Binding residue
(original residue number in PDB)		T92 N154 S155
Binding residue
(residue number reindexed from 1)		T84 N139 S140
Annotation score4
External links