Structure of PDB 8t1k Chain B Binding Site BS03

Receptor Information
>8t1k Chain B (length=419) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRFLKVKNWETDVVLTDTLHLKSTLETGCTEHICMGSIMLPSQHTRKPED
VRTKDQLFPLAKEFLDQYYSSIKRFGSKAHMDRLEEVNKEIESTSTYQLK
DTELIYGAKHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVK
YATNKGNLRSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPA
NVQFTEICIQQGWKAPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIR
HPKFDWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRD
YCDNSRYNILEEVAKKMDLDMRKTSSLWKDQALVEINIAVLYSFQSDKVT
IVDHHSATESFIKHMENEYRCRGGCPADWVWIVPPMSGSITPVFHQEMLN
YRLTPSFEYQPDPWNTHVW
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 chain8t1k Chain B Residue 1502 [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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PDB8t1k Mapping interactions of calmodulin and neuronal NO synthase by crosslinking and mass spectrometry.
Resolution3.14 Å
Binding residue
(original residue number in PDB)		S334 R596 V677 W678
Binding residue
(residue number reindexed from 1)		S37 R299 V380 W381
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.13.39: nitric-oxide synthase (NADPH).
Gene Ontology
Molecular Function
GO:0004517 nitric-oxide synthase activity
GO:0005515 protein binding
GO:0005516 calmodulin binding
GO:0008270 zinc ion binding
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0017080 sodium channel regulator activity
GO:0019899 enzyme binding
GO:0020037 heme binding
GO:0042802 identical protein binding
GO:0044325 transmembrane transporter binding
GO:0046870 cadmium ion binding
GO:0046872 metal ion binding
GO:0048306 calcium-dependent protein binding
GO:0050660 flavin adenine dinucleotide binding
GO:0050661 NADP binding
GO:0051117 ATPase binding
GO:0051219 phosphoprotein binding
GO:0070402 NADPH binding
GO:0097110 scaffold protein binding
Biological Process
GO:0001666 response to hypoxia
GO:0002028 regulation of sodium ion transport
GO:0006527 arginine catabolic process
GO:0006809 nitric oxide biosynthetic process
GO:0006813 potassium ion transport
GO:0006816 calcium ion transport
GO:0006941 striated muscle contraction
GO:0007263 nitric oxide mediated signal transduction
GO:0007565 female pregnancy
GO:0008285 negative regulation of cell population proliferation
GO:0009408 response to heat
GO:0009725 response to hormone
GO:0010288 response to lead ion
GO:0014070 response to organic cyclic compound
GO:0014823 response to activity
GO:0018119 peptidyl-cysteine S-nitrosylation
GO:0031667 response to nutrient levels
GO:0032496 response to lipopolysaccharide
GO:0033197 response to vitamin E
GO:0033555 multicellular organismal response to stress
GO:0034760 negative regulation of iron ion transmembrane transport
GO:0035094 response to nicotine
GO:0038060 nitric oxide-cGMP-mediated signaling
GO:0042178 xenobiotic catabolic process
GO:0042311 vasodilation
GO:0043066 negative regulation of apoptotic process
GO:0043267 negative regulation of potassium ion transport
GO:0043434 response to peptide hormone
GO:0043524 negative regulation of neuron apoptotic process
GO:0043627 response to estrogen
GO:0045184 establishment of protein localization
GO:0045471 response to ethanol
GO:0045776 negative regulation of blood pressure
GO:0045893 positive regulation of DNA-templated transcription
GO:0045906 negative regulation of vasoconstriction
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0046209 nitric oxide metabolic process
GO:0046676 negative regulation of insulin secretion
GO:0048148 behavioral response to cocaine
GO:0050767 regulation of neurogenesis
GO:0051481 negative regulation of cytosolic calcium ion concentration
GO:0051612 negative regulation of serotonin uptake
GO:0051649 establishment of localization in cell
GO:0051926 negative regulation of calcium ion transport
GO:0060078 regulation of postsynaptic membrane potential
GO:0061875 negative regulation of hepatic stellate cell contraction
GO:0071260 cellular response to mechanical stimulus
GO:0071363 cellular response to growth factor stimulus
GO:0071731 response to nitric oxide
GO:0071872 cellular response to epinephrine stimulus
GO:0071879 positive regulation of adenylate cyclase-activating adrenergic receptor signaling pathway
GO:0098735 positive regulation of the force of heart contraction
GO:0098924 retrograde trans-synaptic signaling by nitric oxide
GO:0099163 synaptic signaling by nitric oxide
GO:0106071 positive regulation of adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:1900273 positive regulation of long-term synaptic potentiation
GO:1902307 positive regulation of sodium ion transmembrane transport
Cellular Component
GO:0001917 photoreceptor inner segment
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005741 mitochondrial outer membrane
GO:0005829 cytosol
GO:0005856 cytoskeleton
GO:0005886 plasma membrane
GO:0005901 caveola
GO:0014069 postsynaptic density
GO:0016529 sarcoplasmic reticulum
GO:0030018 Z disc
GO:0030141 secretory granule
GO:0030315 T-tubule
GO:0030425 dendrite
GO:0031965 nuclear membrane
GO:0032991 protein-containing complex
GO:0033017 sarcoplasmic reticulum membrane
GO:0042383 sarcolemma
GO:0042582 azurophil granule
GO:0042995 cell projection
GO:0043197 dendritic spine
GO:0044305 calyx of Held
GO:0045121 membrane raft
GO:0045202 synapse
GO:0048471 perinuclear region of cytoplasm
GO:0071944 cell periphery
GO:0098978 glutamatergic synapse
GO:0099091 postsynaptic specialization, intracellular component
GO:0099092 postsynaptic density, intracellular component

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8t1k, PDBe:8t1k, PDBj:8t1k
PDBsum8t1k
PubMed37979917
UniProtP29476|NOS1_RAT Nitric oxide synthase 1 (Gene Name=Nos1)

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