Structure of PDB 2nos Chain A Binding Site BS02

Receptor Information
>2nos Chain A (length=322) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NPKSLTRGPRDKPTPLEELLPHAIEFINQYYGSFKEAKIEEHLARLEAVT
KEIETTGTYQLTLDELIFATKMAWRNAPRCIGRIQWSNLQVFDARNCSTA
QEMFQHICRHILYATNNGNIRSAITVFPQRSDGKHDFRLWNSQLIRYAGY
QMPDGTIRGDAATLEFTQLCIDLGWKPRYGRFDVLPLVLQADGQDPEVFE
IPPDLVLEVTMELGLKWYALPAVANMLLEVGGLEFPACPFNGWYMGTEIG
VRDFCDTQDRAVTEINVAVLHSFQKQNVTIMDHHTASESFMKHMQNEVLS
PFYYYQIEPWKTHIWQNEHHHH
Ligand information
Ligand IDAGU
InChIInChI=1S/CH6N4/c2-1(3)5-4/h4H2,(H4,2,3,5)
InChIKeyHAMNKKUPIHEESI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=N)(N)NN
CACTVS 3.341NNC(N)=N
ACDLabs 10.04[N@H]=C(N)NN
FormulaC H6 N4
NameAMINOGUANIDINE
ChEMBLCHEMBL225304
DrugBankDB05383
ZINCZINC000008034829
PDB chain2nos Chain A Residue 903 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2nos The structure of nitric oxide synthase oxygenase domain and inhibitor complexes.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		W366 Y367 M368 E371
Binding residue
(residue number reindexed from 1)		W243 Y244 M245 E248
Annotation score1
Binding affinityBindingDB: IC50=26550nM
Enzymatic activity
Catalytic site (original residue number in PDB) C194 R197 W366 E371
Catalytic site (residue number reindexed from 1) C80 R83 W243 E248
Enzyme Commision number 1.14.13.39: nitric-oxide synthase (NADPH).
Gene Ontology
Molecular Function
GO:0004517 nitric-oxide synthase activity
GO:0020037 heme binding
Biological Process
GO:0006809 nitric oxide biosynthetic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:2nos, PDBe:2nos, PDBj:2nos
PDBsum2nos
PubMed9334294
UniProtP29477|NOS2_MOUSE Nitric oxide synthase, inducible (Gene Name=Nos2)

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