Structure of PDB 3hsn Chain B Binding Site BS05

Receptor Information
>3hsn Chain B (length=413) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPSVRTKDQLF
PLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLKDTELIYGA
KHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNL
RSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEIC
IQQGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFDWFK
DLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYN
ILEEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVTIVDHHSAT
ESFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLNYRLTPSFE
YQPDPWNTHVWKG
Ligand information
Ligand IDHAR
InChIInChI=1S/C6H14N4O3/c7-4(5(11)12)2-1-3-9-6(8)10-13/h4,13H,1-3,7H2,(H,11,12)(H3,8,9,10)/t4-/m0/s1
InChIKeyFQWRAVYMZULPNK-BYPYZUCNSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNC(=N)NO
CACTVS 3.341N[C@@H](CCCNC(=N)NO)C(O)=O
CACTVS 3.341N[CH](CCCNC(=N)NO)C(O)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)CNC(=N)NO
ACDLabs 10.04O=C(O)C(N)CCCNC(=[N@H])NO
FormulaC6 H14 N4 O3
NameN-OMEGA-HYDROXY-L-ARGININE
ChEMBLCHEMBL260629
DrugBankDB03144
ZINCZINC000004096974
PDB chain3hsn Chain B Residue 1770 [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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PDB3hsn Single crystal structural and absorption spectral characterizations of nitric oxide synthase complexed with N(omega)-hydroxy-L-arginine and diatomic ligands.
Resolution1.91 Å
Binding residue
(original residue number in PDB)		Q478 P565 V567 G586 W587 Y588 E592 D597
Binding residue
(residue number reindexed from 1)		Q173 P260 V262 G281 W282 Y283 E287 D292
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) C415 R418 W587 E592
Catalytic site (residue number reindexed from 1) C110 R113 W282 E287
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:3hsn, PDBe:3hsn, PDBj:3hsn
PDBsum3hsn
PubMed19791770
UniProtP29476|NOS1_RAT Nitric oxide synthase 1 (Gene Name=Nos1)

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