Structure of PDB 1wra Chain B Binding Site BS02

Receptor Information

>1wra Chain B (length=308) Species: 171101 (Streptococcus pneumoniae R6) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ESSGNKIHFINVQEGGSDAIILESNGHFAMVDTGEDYDFPDGSDSRYPWR
EGIETSYKHVLTDRVFRRLKELSVQKLDFILVTHTHSDHIGNVDELLSTY
PVDRVYLKKYSDSRITNSERLWDNLYGYDKVLQTATETGVSVIQNITQGD
AHFQFGDMDIQLYNYENETDSSGELKKIWDDNSNSLISVVKVNGKKIYLG
GDLDNVHGAEDKYGPLIGKVDLMKFNHHHDTNKSNTKDFIKNLSPSLIVQ
TSDSLPWKNGVDSEYVNWLKERGIERINAASKDYDATVFDIRKDGFVNIS
TSYKPIPS

Ligand information

Ligand ID

InChI

InChI=1S/Fe/q+3

InChIKey

VTLYFUHAOXGGBS-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 CACTVS 3.341 OpenEye OEToolkits 1.5.0	[Fe+3]

Formula

Name

FE (III) ION

PDB chain

1wra Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	1wra 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
Resolution	2.0 Å
Binding residue (original residue number in PDB)	D114 H115 D228 H254
Binding residue (residue number reindexed from 1)	D88 H89 D202 H228
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.1.4.38: glycerophosphocholine cholinephosphodiesterase.

External links

PDB	RCSB:1wra, PDBe:1wra, PDBj:1wra
PDBsum	1wra
PubMed	15908436
UniProt	Q8DQ62

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