Structure of PDB 1dm8 Chain B Binding Site BS05

Receptor Information
>1dm8 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 IDTZC
InChIInChI=1S/C3H5N5/c4-3(5)8-2-6-1-7-8/h1-2H,(H3,4,5)/p+1
InChIKeyCDIOIIJXUJXYPB-UHFFFAOYSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ncn(n1)C(=[NH2+])N
CACTVS 3.341NC(=[NH2+])n1cncn1
ACDLabs 10.04n1cnn(C(=[NH2+])\N)c1
FormulaC3 H6 N5
Name1,2,4-TRIAZOLE-CARBOXAMIDINE
ChEMBL
DrugBankDB02048
ZINCZINC000162503468
PDB chain1dm8 Chain B Residue 2790 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1dm8 Efficient Formation of Nitric Oxide from Selective Oxidation of N-Aryl N'- Hydroxyguanidines by Inducible Nitric Oxide Synthase
Resolution2.25 Å
Binding residue
(original residue number in PDB)		P336 F355 E363
Binding residue
(residue number reindexed from 1)		P268 F287 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:1dm8, PDBe:1dm8, PDBj:1dm8
PDBsum1dm8
PubMed
UniProtP29473|NOS3_BOVIN Nitric oxide synthase 3 (Gene Name=NOS3)

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