Structure of PDB 2xqx Chain B Binding Site BS01

Receptor Information
>2xqx Chain B (length=146) Species: 170187 (Streptococcus pneumoniae TIGR4) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SNIVPGATVIDSTFPKTEGGEGIEGMLNGTITSLSDKWSSAQLSGSVDIR
LTKPRTVVRWVMDHAGAGGESVNDGLMNTKDFDLYYKDADGEWKLAKEVR
GNKAHVTDITLDKPITAQDWRLNVVTSDNGTPWKAIRIYNWKMYEK
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 chain2xqx Chain B Residue 1949 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2xqx Structural Analysis of a Putative Family 32 Carbohydrate-Binding Module from the Streptococcus Pneumoniae Enzyme Endod.
Resolution2.01 Å
Binding residue
(original residue number in PDB)		G827 N830 T832 D838 Y941 N942
Binding residue
(residue number reindexed from 1)		G25 N28 T30 D36 Y139 N140
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links