Structure of PDB 1mjt Chain B Binding Site BS05

Receptor Information
>1mjt Chain B (length=347) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHLFKEAQAFIENMYKECHYETQIINKRLHDIELEIKETGTYTHTEEELI
YGAKMAWRNSNRCIGRLFWDSLNVIDARDVTDEASFLSSITYHITQATNE
GKLKPYITIYAPKDGPKIFNNQLIRYAGYDNCGDPAEKEVTRLANHLGWK
GKGTNFDVLPLIYQLPNESVKFYEYPTSLIKEVPIEHNHYPKLRKLNLKW
YAVPIISNMDLKIGGIVYPTAPFNGWYMVTEIGVRNFIDDYRYNLLEKVA
DAFEFDTLKNNSFNKDRALVELNYAVYHSFKKEGVSIVDHLTAAKQFELF
ERNEAQQGRQVTGKWSWLAPPLSPTLTSNYHHGYDNTVKDPNFFYKK
Ligand information
Ligand IDITU
InChIInChI=1S/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)
InChIKeyVFIZBHJTOHUOEK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCSC(=N)N
CACTVS 3.341CCSC(N)=N
ACDLabs 10.04[N@H]=C(SCC)N
FormulaC3 H8 N2 S
NameETHYLISOTHIOUREA
ChEMBLCHEMBL321691
DrugBankDB02234
ZINCZINC000003806245
PDB chain1mjt Chain B Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1mjt Crystal Structure of SANOS, a Bacterial Nitric Oxide Synthase Oxygenase Protein from Staphylococcus aureus
Resolution2.4 Å
Binding residue
(original residue number in PDB)		P203 I205 F222 W225 E230
Binding residue
(residue number reindexed from 1)		P204 I206 F223 W226 E231
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C62 R65 W225 E230
Catalytic site (residue number reindexed from 1) C63 R66 W226 E231
Enzyme Commision number 1.14.14.47: nitric-oxide synthase (flavodoxin).
Gene Ontology
Molecular Function
GO:0004517 nitric-oxide synthase activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
Biological Process
GO:0006809 nitric oxide biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1mjt, PDBe:1mjt, PDBj:1mjt
PDBsum1mjt
PubMed12467576
UniProtP0A004|NOSO_STAAU Nitric oxide synthase oxygenase (Gene Name=nos)

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