Structure of PDB 7d9u Chain B Binding Site BS01

Receptor Information
>7d9u Chain B (length=569) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MYGFVNHALELLVIRNYGPEVWEDIKKEAQLDEEGQFLVRIIYDDSKTYD
LVAAASKVLNLNAGEILQMFGKMFFVFCQESGYDTILRVLGSNVREFLQN
LDALHDHLATIYPGMRAPSFRCTDAEKGKGLILHYYSEREGLQDIVIGII
KTVAQQIHGTEIDMKVIQQRNEECDHTQFLIEEKEESRISPYTFCKAFPF
HIIFDRDLVVTQCGNAIYRVLPQLQPGNCSLLSVFSLVRPHIDISFHGIL
SHINTVFVLRSKEGLLDSCLRLKGQMIYLPEADSILFLCSPSVMNLDDLT
RRGLYLSDIPLHDATRDLVLLGEQFREEYKLTQELEILTDRLQLTLRALE
DEKKKTDTLLYSVLPPSVANELRHKRPVPAKRYDNVTILFSGIVGFNAFC
SKHAGAMKIVNLLNDLYTRFDTLTDSRKNPFVYKVETVGDKYMTVSGLPE
PCIHHARSICHLALDMMEIAGQVQVDGESVQITIGIHTGEVVTGVIGQRM
PRYCLFGNTVNLTSRTETTGEKGKINVSEYTYRCLMSPENSDPQFHLEHR
GPVSMKGKKEPMQVWFLSR
Ligand information
Ligand IDG2P
InChIInChI=1S/C11H18N5O13P3/c12-11-14-8-5(9(19)15-11)13-2-16(8)10-7(18)6(17)4(28-10)1-27-30(20,21)3-31(22,23)29-32(24,25)26/h2,4,6-7,10,17-18H,1,3H2,(H,20,21)(H,22,23)(H2,24,25,26)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1
InChIKeyGXTIEXDFEKYVGY-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@](O)(=O)C[P@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(C[P@@](=O)(O)OP(=O)(O)O)O)O)O)N=C(NC2=O)N
ACDLabs 10.04O=P(O)(O)OP(=O)(O)CP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)C[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
FormulaC11 H18 N5 O13 P3
NamePHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER
ChEMBLCHEMBL1232908
DrugBankDB03532
ZINCZINC000016051609
PDB chain7d9u Chain A Residue 1001 [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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PDB7d9u Activation mechanism of human soluble guanylate cyclase by stimulators and activators.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		F424 V547 S551 R552
Binding residue
(residue number reindexed from 1)		F390 V510 S514 R515
Annotation score3
Enzymatic activity
Enzyme Commision number 4.6.1.2: guanylate cyclase.
Gene Ontology
Molecular Function
GO:0004016 adenylate cyclase activity
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
GO:0044877 protein-containing complex binding
GO:0046872 metal ion binding
GO:0047805 cytidylate cyclase activity
GO:0051879 Hsp90 protein binding
GO:0070026 nitric oxide binding
Biological Process
GO:0006182 cGMP biosynthetic process
GO:0007263 nitric oxide mediated signal transduction
GO:0008015 blood circulation
GO:0009190 cyclic nucleotide biosynthetic process
GO:0019934 cGMP-mediated signaling
GO:0035556 intracellular signal transduction
GO:0038060 nitric oxide-cGMP-mediated signaling
GO:0070482 response to oxygen levels
GO:0071732 cellular response to nitric oxide
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0008074 guanylate cyclase complex, soluble
GO:0032991 protein-containing complex
GO:0098831 presynaptic active zone cytoplasmic component
GO:0098978 glutamatergic synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7d9u, PDBe:7d9u, PDBj:7d9u
PDBsum7d9u
PubMed34535643
UniProtQ02153|GCYB1_HUMAN Guanylate cyclase soluble subunit beta-1 (Gene Name=GUCY1B1)

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