Structure of PDB 1foi Chain B Binding Site BS03

Receptor Information
>1foi Chain B (length=414) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPRKLQTRPSPG
PPPAEQLLSQARDFINQYYSSIKRSGSQAHEERLQEVEAEVASTGTYHLR
ESELVFGAKQAWRNAPRCVGRIQWGKLQVFDARDCSSAQEMFTYICNHIK
YATNRGNLRSAITVFPQRAPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPA
NVEITELCIQHGWTPGNGRFDVLPLLLQAPDEAPELFVLPPELVLEVPLE
HPTLEWFAALGLRWYALPAVSNMLLEIGGLEFSAAPFSGWYMSTEIGTRN
LCDPHRYNILEDVAVCMDLDTRTTSSLWKDKAAVEINLAVLHSFQLAKVT
IVDHHAATVSFMKHLDNEQKARGGCPADWAWIVPPISGSLTPVFHQEMVN
YILSPAFRYQPDPW
Ligand information
Ligand ID14W
InChIInChI=1S/C10H15N3/c1-8(12)13-7-10-4-2-3-9(5-10)6-11/h2-5H,6-7,11H2,1H3,(H2,12,13)
InChIKeyRODUKNYOEVZQPR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(=N)NCc1cccc(CN)c1
ACDLabs 10.04[N@H]=C(NCc1cccc(c1)CN)C
OpenEye OEToolkits 1.5.0[H]N=C(C)NCc1cccc(c1)CN
OpenEye OEToolkits 1.5.0[H]/N=C(/C)\NCc1cccc(c1)CN
FormulaC10 H15 N3
NameN-(3-(AMINOMETHYL)BENZYL)ACETAMIDINE
ChEMBLCHEMBL107251
DrugBankDB02044
ZINCZINC000003870614
PDB chain1foi Chain B Residue 810 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1foi Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors.
Resolution1.93 Å
Binding residue
(original residue number in PDB)		V338 E363
Binding residue
(residue number reindexed from 1)		V270 E295
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C186 R189 W358 E363
Catalytic site (residue number reindexed from 1) C118 R121 W290 E295
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:1foi, PDBe:1foi, PDBj:1foi
PDBsum1foi
PubMed11331003
UniProtP29473|NOS3_BOVIN Nitric oxide synthase 3 (Gene Name=NOS3)

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