Structure of PDB 4js9 Chain A Binding Site BS02

Receptor Information
>4js9 Chain A (length=405) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QYVRIKNWGSGEILHDTLHHKATSSIMNPKSLTRGPRDKPTPLEELLPHA
IEFINQYYGSFKEAKIEEHLARLEAVTKEIETTGTYQLTLDELIFATKMA
WRNAPRCIGRIQWSNLQVFDARNCSTAQEMFQHICRHILYATNNGNIRSA
ITVFPQRSDGKHDFRLWNSQLIRYAGYQMPTIRGDAATLEFTQLCIDLGW
KPRYGRFDVLPLVLQADGQDPEVFEIPPDLVLEVTMEHPKYEWFQELGLK
WYALPAVANMLLEVGGLEFPACPFNGWYMGTEIGVRDFCDTQRYNILEEV
GRRMGLETHTLASLWKDRAVTEINVAVLHSFQKQNVTIMDHHTASESFMK
HMQNEYRARGGCPADWIWLVPPVSGSITPVFHQEMLNYVLSPFYYYQIEP
WKTHI
Ligand information
Ligand IDH4B
InChIInChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1
InChIKeyFNKQXYHWGSIFBK-RPDRRWSUSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1C=2NC(CNC=2N=C(N1)N)C(O)C(O)C
OpenEye OEToolkits 1.5.0CC(C(C1CNC2=C(N1)C(=O)NC(=N2)N)O)O
OpenEye OEToolkits 1.5.0C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O
CACTVS 3.341C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)NC(=N2)N
CACTVS 3.341C[CH](O)[CH](O)[CH]1CNC2=C(N1)C(=O)NC(=N2)N
FormulaC9 H15 N5 O3
Name5,6,7,8-TETRAHYDROBIOPTERIN
ChEMBLCHEMBL1201774
DrugBankDB00360
ZINCZINC000013585233
PDB chain4js9 Chain A Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4js9 Kinetic and Structural Characterization of Inducible Nitric Oxide Synthase Substituted With Mesoheme
Resolution2.784 Å
Binding residue
(original residue number in PDB)		S112 M114 R375 I456 W457
Binding residue
(residue number reindexed from 1)		S25 M27 R286 I367 W368
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C194 R197 W366 E371
Catalytic site (residue number reindexed from 1) C107 R110 W277 E282
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:4js9, PDBe:4js9, PDBj:4js9
PDBsum4js9
PubMed
UniProtP29477|NOS2_MOUSE Nitric oxide synthase, inducible (Gene Name=Nos2)

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