Structure of PDB 3ryd Chain A Binding Site BS02

Receptor Information

>3ryd Chain A (length=261) Species: 282459 (Staphylococcus aureus subsp. aureus MSSA476) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

DKTLQQIDKLICSWLKQIDNVIPQLIMEMTTTKRHRFDLVTNVDKQIQQQ
FQQFLATYFPEHQLLAEEKSNMITNEINHLWIMDPIDGTANLVKQQEDYC
IILAYFYEGKPMLSYVYDYPHKKLYKAIRGEGAFCNGIKMEEPPSLKLED
AIISFNAQVMNLDTVQDLFDASFSYRLVGACGLDSMRVAKGQFGAHINTN
PKPWDIAAQFLFAELLNLKMTTLDGKAIDHLKGAPFIISNKACHETVLKI
LNANGGYQKYR

Ligand information

Ligand ID

InChI

InChI=1S/Ca/q+2

InChIKey

BHPQYMZQTOCNFJ-UHFFFAOYSA-N

SMILES

Software	SMILES
CACTVS 3.341	[Ca++]
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Ca+2]

Formula

Name

CALCIUM ION

PDB chain

3ryd Chain A Residue 270 [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	3ryd Crystal structure of Staphylococcal dual specific inositol monophosphatase/NADP(H) phosphatase (SAS2203) delineates the molecular basis of substrate specificity
Resolution	2.37 Å
Binding residue (original residue number in PDB)	E70 D88 I90
Binding residue (residue number reindexed from 1)	E67 D84 I86
Annotation score	4

External links

PDB	RCSB:3ryd, PDBe:3ryd, PDBj:3ryd
PDBsum	3ryd
PubMed	22197784

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