Structure of PDB 1ed6 Chain B Binding Site BS03

Receptor Information
>1ed6 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 IDILO
InChIInChI=1S/C7H15N3O2/c1-5(8)10-4-2-3-6(9)7(11)12/h6H,2-4,9H2,1H3,(H2,8,10)(H,11,12)/t6-/m0/s1
InChIKeyUYZFAUAYFLEHRC-LURJTMIESA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(=N)NCCC[CH](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(=N)NCCC[C@@H](C(=O)O)N
CACTVS 3.341CC(=N)NCCC[C@H](N)C(O)=O
OpenEye OEToolkits 1.5.0CC(=N)NCCCC(C(=O)O)N
ACDLabs 10.04O=C(O)C(N)CCCNC(=[N@H])C
FormulaC7 H15 N3 O2
NameN5-IMINOETHYL-L-ORNITHINE
ChEMBLCHEMBL11471
DrugBankDB03305
ZINCZINC000001886324
PDB chain1ed6 Chain B Residue 2765 [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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PDB1ed6 Crystallographic studies on endothelial nitric oxide synthase complexed with nitric oxide and mechanism-based inhibitors.
Resolution2.05 Å
Binding residue
(original residue number in PDB)		Q249 P336 Y359 E363 N368
Binding residue
(residue number reindexed from 1)		Q181 P268 Y291 E295 N300
Annotation score3
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:1ed6, PDBe:1ed6, PDBj:1ed6
PDBsum1ed6
PubMed11331003
UniProtP29473|NOS3_BOVIN Nitric oxide synthase 3 (Gene Name=NOS3)

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