Structure of PDB 3dev Chain B Binding Site BS01

Receptor Information
>3dev Chain B (length=316) Species: 279808 (Staphylococcus haemolyticus JCSC1435) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVEIFNEIMQRVKEAETIIIHRHVRPDPDAYGSQLGLKLYLERKFPEKNI
YATGEAEPSLSFIGDLDEIDDSVYSDALVIVCDTANAPRIDDQRYLNGQS
LIKIDHHPATDQYGDVNFVNTEASSTSEIIFDFISHFNDLSIIDEHVARV
LYLGIVGDTGRFLFSNTSPHTMEVASQLLAYPFNHNAELNKMSEKDPKLM
PFQGYVLQNFELSDSHEYCQIKITNDVLKQFDIQPNEASQFVNTVADISG
LKIWMFGVDEGDQIRCRIRSKGITINDVANQFGGGGHPNASGVSVYSWDE
FEELAQALRQKLLEHH
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3dev Chain B Residue 322 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3dev Crystal structure of SH1221 protein from Staphylococcus haemolyticus, Northeast Structural Genomics Consortium Target ShR87
Resolution3.1 Å
Binding residue
(original residue number in PDB)		D29 D83 H106 D158
Binding residue
(residue number reindexed from 1)		D29 D83 H106 D158
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3dev, PDBe:3dev, PDBj:3dev
PDBsum3dev
PubMed
UniProtQ4L745

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