Structure of PDB 4cul Chain B Binding Site BS02

Receptor Information
>4cul Chain B (length=384) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KFPRVKNWELGSITYDTLCAQSPAEQLLSQARDFINQYYSSIKRSGSQAH
EERLQEVEAEVASTGTYHLRESELVFGAKQAWRNAPRCVGRIQWGKLQVF
DARDCSSAQEMFTYICNHIKYATNRGNLRSAITVFPQRAPGRGDFRIWNS
QLVRYAGYRQQDGSVRGDPANVEITELCIQHGWTPGNGRFDVLPLLLQAP
DEAPELFVLPPELVLEVPLEHPTLEWFAALGLRWYALPAVSNMLLEIGGL
EFSAAPFSGWYMSTEIGTRNLCDPHRYNILEDVAVCMDLDTRTTSSLWKD
KAAVEINLAVLHSFQLAKVTIVDHHAATVSFMKHLDNEQKARGGCPADWA
WIVPPISGSLTPVFHQEMVNYILSPAFRYQPDPW
Ligand information
Ligand IDARG
InChIInChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
InChIKeyODKSFYDXXFIFQN-BYPYZUCNSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[C@@H](CCCNC(N)=[NH2+])C(O)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[CH](CCCNC(N)=[NH2+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCN\C(=[NH2+])N
FormulaC6 H15 N4 O2
NameARGININE
ChEMBL
DrugBank
ZINC
PDB chain4cul Chain B Residue 700 [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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PDB4cul Communication between the Zinc and Tetrahydrobiopterin Binding Sites in Nitric Oxide Synthase.
Resolution2.23 Å
Binding residue
(original residue number in PDB)		Q249 V338 Y359 E363 N368
Binding residue
(residue number reindexed from 1)		Q151 V240 Y261 E265 N270
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) C186 R189 W358 E363
Catalytic site (residue number reindexed from 1) C88 R91 W260 E265
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:4cul, PDBe:4cul, PDBj:4cul
PDBsum4cul
PubMed24819538
UniProtP29473|NOS3_BOVIN Nitric oxide synthase 3 (Gene Name=NOS3)

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