Structure of PDB 4nb0 Chain B Binding Site BS01

Receptor Information
>4nb0 Chain B (length=125) Species: 158879 (Staphylococcus aureus subsp. aureus N315) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHLKSINHICFSVRNLNDSIHFYRDILLGKLLLTGKKTAYFELAGLWIAL
NEEKSYTHIAFTIDDSEFKYWHQRLKDNNVNILEGRVRDIRDRQSIYFTD
PDGHKLELHTGTLENRLNYYKMTFY
Ligand information
Ligand IDCYS
InChIInChI=1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKeyXUJNEKJLAYXESH-REOHCLBHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](CS)C(O)=O
OpenEye OEToolkits 1.5.0C([C@@H](C(=O)O)N)S
CACTVS 3.341N[C@@H](CS)C(O)=O
ACDLabs 10.04O=C(O)C(N)CS
OpenEye OEToolkits 1.5.0C(C(C(=O)O)N)S
FormulaC3 H7 N O2 S
NameCYSTEINE
ChEMBLCHEMBL863
DrugBankDB00151
ZINCZINC000000895042
PDB chain4nb0 Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4nb0 Structure and Function of the Genomically Encoded Fosfomycin Resistance Enzyme, FosB, from Staphylococcus aureus.
Resolution1.62 Å
Binding residue
(original residue number in PDB)		H66 K113
Binding residue
(residue number reindexed from 1)		H58 K105
Annotation score4
Enzymatic activity
Enzyme Commision number 2.5.1.-
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0046872 metal ion binding
Biological Process
GO:0046677 response to antibiotic
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4nb0, PDBe:4nb0, PDBj:4nb0
PDBsum4nb0
PubMed24447055
UniProtP60864|FOSB_STAAN Metallothiol transferase FosB (Gene Name=fosB)

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