Structure of PDB 7nse Chain A Binding Site BS02

Receptor Information
>7nse 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 IDDA2
InChIInChI=1S/C8H18N4O2/c1-12(2)8(10)11-5-3-4-6(9)7(13)14/h6H,3-5,9H2,1-2H3,(H2,10,11)(H,13,14)/t6-/m0/s1
InChIKeyYDGMGEXADBMOMJ-LURJTMIESA-N
SMILES
SoftwareSMILES
CACTVS 3.385CN(C)C(=N)NCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.7.6CN(C)C(=N)NCCCC(C(=O)O)N
OpenEye OEToolkits 1.7.6[H]/N=C(/NCCC[C@@H](C(=O)O)N)\N(C)C
CACTVS 3.385CN(C)C(=N)NCCC[CH](N)C(O)=O
ACDLabs 12.01CN(C)C(/NCCCC(N)C(=O)O)=N
FormulaC8 H18 N4 O2
NameNG,NG-DIMETHYL-L-ARGININE;
ADMA
ChEMBLCHEMBL457530
DrugBankDB01686
ZINCZINC000001529718
PDB chain7nse Chain A Residue 710 [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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PDB7nse The Structure of Nitric Oxide Synthase Oxygenase Domain and Inhibitor Complex
Resolution2.35 Å
Binding residue
(original residue number in PDB)		Q249 G357 W358 Y359 E363 N368
Binding residue
(residue number reindexed from 1)		Q183 G291 W292 Y293 E297 N302
Annotation score3
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7nse, PDBe:7nse, PDBj:7nse
PDBsum7nse
PubMed
UniProtP29473|NOS3_BOVIN Nitric oxide synthase 3 (Gene Name=NOS3)

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