Structure of PDB 1dm6 Chain B Binding Site BS03

Receptor Information
>1dm6 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 IDPH3
InChIInChI=1S/C7H8ClN3O/c8-5-1-3-6(4-2-5)10-7(9)11-12/h1-4,12H,(H3,9,10,11)
InChIKeyJYBXKTLYOMPMQY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341ONC(=N)Nc1ccc(Cl)cc1
ACDLabs 10.04Clc1ccc(NC(=[N@H])NO)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1NC(=N)NO)Cl
FormulaC7 H8 Cl N3 O
NameN-(CHLOROPHENYL)-N'-HYDROXYGUANIDINE
ChEMBLCHEMBL323202
DrugBankDB04559
ZINC
PDB chain1dm6 Chain B Residue 1785 [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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PDB1dm6 Crystal structure of nitric oxide synthase bound to nitro indazole reveals a novel inactivation mechanism.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		W447 F462 H463 Q464 E465
Binding residue
(residue number reindexed from 1)		W379 F394 H395 Q396 E397
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:1dm6, PDBe:1dm6, PDBj:1dm6
PDBsum1dm6
PubMed11695891
UniProtP29473|NOS3_BOVIN Nitric oxide synthase 3 (Gene Name=NOS3)

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