Structure of PDB 7d9r Chain A Binding Site BS04

Receptor Information
>7d9r Chain A (length=502) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SRVYLHTLAESICKLIFPEFERLNVALQRTLAKHKFEKTIAEQAVAAGVP
VEVIKESLGEEVFKICYEEDENILGVVGGTLKDFLNSFSTLLKQASILCL
LHVYYFTTSLILPGIIKAAAHVLYETEVEVSLYLLYSVHSLVIPTSLFCK
TFPFHFMFDKDMTILQFGNGIRRLMNRRDKPNFEEYFEILTPKINQTFSG
IMTMLNMQFVVRVRRVMDLKGQMIYIVESSAILFLGSPCVLYLSDIPIHN
ALRDVVLIGEQARAQDGLKKRLGKLKATLEQAHQALEEEKKKTVDLLCSI
FPCEVAQQLWQGQVVQAKKFSNVTMLFSDIVGFTAICSQCSPLQVITMLN
ALYTRFDQQCGELDVYKVETIGDAYCVAGGLHKESDTHAVQIALMAVKMM
ELSDEVMSPHGEPIKMRIGLHSGSVFAGVVGVKMPRYCLFGNNVTLANKF
ESCSVPRKINVSPTTYRLLKDCPGFVFTPRSREELPPNFPSEIPGICHFL
DA
Ligand information
Ligand IDGZO
InChIInChI=1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26)
InChIKeyWXXSNCNJFUAIDG-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COC(=O)N(C)c1c(N)nc(nc1N)c2nn(Cc3ccccc3F)c4ncccc24
OpenEye OEToolkits 2.0.7CN(c1c(nc(nc1N)c2c3cccnc3n(n2)Cc4ccccc4F)N)C(=O)OC
FormulaC20 H19 F N8 O2
Namemethyl ~{N}-[4,6-bis(azanyl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-~{N}-methyl-carbamate
ChEMBLCHEMBL2107834
DrugBankDB08931
ZINCZINC000003819392
PDB chain7d9r Chain B Residue 702 [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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PDB7d9r Activation mechanism of human soluble guanylate cyclase by stimulators and activators.
Resolution3.7 Å
Binding residue
(original residue number in PDB)		L425 R428
Binding residue
(residue number reindexed from 1)		L268 R271
Annotation score1
Enzymatic activity
Enzyme Commision number 4.6.1.2: guanylate cyclase.
Gene Ontology
Molecular Function
GO:0004383 guanylate cyclase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0016829 lyase activity
GO:0016849 phosphorus-oxygen lyase activity
GO:0020037 heme binding
GO:0038023 signaling receptor activity
Biological Process
GO:0006182 cGMP biosynthetic process
GO:0007263 nitric oxide mediated signal transduction
GO:0008015 blood circulation
GO:0008217 regulation of blood pressure
GO:0009190 cyclic nucleotide biosynthetic process
GO:0010750 positive regulation of nitric oxide mediated signal transduction
GO:0019934 cGMP-mediated signaling
GO:0035556 intracellular signal transduction
GO:0038060 nitric oxide-cGMP-mediated signaling
GO:0060087 relaxation of vascular associated smooth muscle
GO:0070482 response to oxygen levels
GO:0098925 retrograde trans-synaptic signaling by nitric oxide, modulating synaptic transmission
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0008074 guanylate cyclase complex, soluble
GO:0098978 glutamatergic synapse
GO:0098982 GABA-ergic synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7d9r, PDBe:7d9r, PDBj:7d9r
PDBsum7d9r
PubMed34535643
UniProtQ02108|GCYA1_HUMAN Guanylate cyclase soluble subunit alpha-1 (Gene Name=GUCY1A1)

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