Structure of PDB 1wra Chain A Binding Site BS03

Receptor Information
>1wra Chain A (length=305) Species: 171101 (Streptococcus pneumoniae R6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GNKIHFINVQEGGSDAIILESNGHFAMVDTGEDYDFPDGSDSRYPWREGI
ETSYKHVLTDRVFRRLKELSVQKLDFILVTHTHSDHIGNVDELLSTYPVD
RVYLKKYSDSRITNSERLWDNLYGYDKVLQTATETGVSVIQNITQGDAHF
QFGDMDIQLYNYENETDSSGELKKIWDDNSNSLISVVKVNGKKIYLGGDL
DNVHGAEDKYGPLIGKVDLMKFNHHHDTNKSNTKDFIKNLSPSLIVQTSD
SLPWKNGVDSEYVNWLKERGIERINAASKDYDATVFDIRKDGFVNISTSY
KPIPS
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 chain1wra Chain A Residue 403 [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]
PDB1wra Crystal structure of phosphorylcholine esterase domain of the virulence factor choline-binding protein e from streptococcus pneumoniae: new structural features among the metallo-beta-lactamase superfamily
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D62 G117 D120 E121
Binding residue
(residue number reindexed from 1)		D33 G88 D91 E92
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.38: glycerophosphocholine cholinephosphodiesterase.
External links