Structure of PDB 1foj Chain A Binding Site BS03

Receptor Information
>1foj Chain A (length=416) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPKFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPRKLQTRPS
PGPPPAEQLLSQARDFINQYYSSIKRSGSQAHEERLQEVEAEVASTGTYH
LRESELVFGAKQAWRNAPRCVGRIQWGKLQVFDARDCSSAQEMFTYICNH
IKYATNRGNLRSAITVFPQRAPGRGDFRIWNSQLVRYAGYRQQDGSVRGD
PANVEITELCIQHGWTPGNGRFDVLPLLLQAPDEAPELFVLPPELVLEVP
LEHPTLEWFAALGLRWYALPAVSNMLLEIGGLEFSAAPFSGWYMSTEIGT
RNLCDPHRYNILEDVAVCMDLDTRTTSSLWKDKAAVEINLAVLHSFQLAK
VTIVDHHAATVSFMKHLDNEQKARGGCPADWAWIVPPISGSLTPVFHQEM
VNYILSPAFRYQPDPW
Ligand information
Ligand ID7NI
InChIInChI=1S/C7H5N3O2/c11-10(12)6-3-1-2-5-4-8-9-7(5)6/h1-4H,(H,8,9)
InChIKeyPQCAUHUKTBHUSA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[O-][N+](=O)c1cccc2cn[nH]c12
OpenEye OEToolkits 1.5.0c1cc2cn[nH]c2c(c1)[N+](=O)[O-]
ACDLabs 10.04[O-][N+](=O)c1cccc2c1nnc2
FormulaC7 H5 N3 O2
Name7-NITROINDAZOLE
ChEMBLCHEMBL247378
DrugBankDB02207
ZINCZINC000006473422
PDB chain1foj Chain A Residue 1750 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1foj Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism
Resolution2.1 Å
Binding residue
(original residue number in PDB)		P336 G357 W358 Y359 E363
Binding residue
(residue number reindexed from 1)		P270 G291 W292 Y293 E297
Annotation score1
Binding affinityBindingDB: IC50=35000nM
Enzymatic activity
Catalytic site (original residue number in PDB) C186 R189 W358 E363
Catalytic site (residue number reindexed from 1) C120 R123 W292 E297
Enzyme Commision number 1.14.13.39: nitric-oxide synthase (NADPH).
Gene Ontology
Molecular Function
GO:0004517 nitric-oxide synthase activity
Biological Process
GO:0006809 nitric oxide biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:1foj, PDBe:1foj, PDBj:1foj
PDBsum1foj
PubMed11695891
UniProtP29473|NOS3_BOVIN Nitric oxide synthase 3 (Gene Name=NOS3)

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