Structure of PDB 2j41 Chain D Binding Site BS01

Receptor Information
>2j41 Chain D (length=178) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KGLLIVLSGPSGVGKGTVRKRIFEDPSTSYKYSISMTTRQMREGEVDGVD
YFFKTRDAFEALIKDDQFIEYAEYVGNYYGTPVQYVKDTMDEGHDVFLEI
EVEGAKQVRKKFPDALFIFLAPPSEARKEVEMMNLYDYVVVNDEVELAKN
RIQCIVEAEHLKRERVEAKYRKMILEAK
Ligand information
Ligand IDSO4
InChIInChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKeyQAOWNCQODCNURD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0[O-]S(=O)(=O)[O-]
CACTVS 3.341[O-][S]([O-])(=O)=O
ACDLabs 10.04[O-]S([O-])(=O)=O
FormulaO4 S
NameSULFATE ION
ChEMBL
DrugBankDB14546
ZINC
PDB chain2j41 Chain D Residue 1208 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2j41 Structure of Staphylococcus Aureus Guanylate Monophosphate Kinase
Resolution1.9 Å
Binding residue
(original residue number in PDB)		R43 Q44 N81
Binding residue
(residue number reindexed from 1)		R39 Q40 N77
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.4.8: guanylate kinase.
Gene Ontology
Molecular Function
GO:0004385 guanylate kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
Biological Process
GO:0006163 purine nucleotide metabolic process
GO:0016310 phosphorylation
GO:0046037 GMP metabolic process
GO:0046710 GDP metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2j41, PDBe:2j41, PDBj:2j41
PDBsum2j41
PubMed17012781
UniProtQ5HGM3|KGUA_STAAC Guanylate kinase (Gene Name=gmk)

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