Structure of PDB 7lrc Chain B Binding Site BS03

Receptor Information
>7lrc Chain B (length=371) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KPILAPEPLVMDNLDSIMEQLNTWNFPIFDLVENIGRKCGRILSQVSYRL
FEDMGLFEAFKIPIREFMNYFHALEIGYRDIPYHNRIHATDVLHAVWYLT
TQPIPGLSTVGYVFSKTYNVTDDKYGCLSGNIPALELMALYVAAAMHDYD
HPGRTNAFLVATSAPQAVLYNDRSVLENHHAAAAWNLFMSRPEYNFLINL
DHVEFKHFRFLVIEAILATDLKKHFDFVAKFNGKVNDDVGIDWTNENDRL
LVCQMCIKLADINGPAKCKELHLQWTDGIVNEFYEQGDEEASLGLPISPF
MDRSAPQLANLQESFISHIVGPLCNSYDSAGLMPGKWVERKIYCQITQHL
LQNHKMWKKVIEEEQRLAGIE
Ligand information
Ligand IDX5M
InChIInChI=1S/C15H21N4O3/c1-4-18(5-2)12-7-6-11(9-13(12)19(21)22)15-10(3)8-14(20)16-17-15/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,20)(H,21,22)/t10-/m1/s1
InChIKeyOQEBJJKKKZAUSG-SNVBAGLBSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCN(CC)c1ccc(cc1[N](O)=O)C2=NNC(=O)C[C@H]2C
OpenEye OEToolkits 2.0.7CCN(CC)c1ccc(cc1[N](=O)O)C2=NNC(=O)CC2C
OpenEye OEToolkits 2.0.7CCN(CC)c1ccc(cc1[N](=O)O)C2=NNC(=O)C[C@H]2C
CACTVS 3.385CCN(CC)c1ccc(cc1[N](O)=O)C2=NNC(=O)C[CH]2C
FormulaC15 H21 N4 O3
Name(4~{R})-3-[4-(diethylamino)-3-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl]-4-methyl-4,5-dihydro-1~{H}-pyridazin-6-one
ChEMBL
DrugBank
ZINC
PDB chain7lrc Chain B Residue 2003 [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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PDB7lrc Structure of PDE3A-SLFN12 complex reveals requirements for activation of SLFN12 RNase.
Resolution2.97 Å
Binding residue
(original residue number in PDB)		Y751 H752 T844 L910 P954 H961 I968 F972 Q1001 F1004
Binding residue
(residue number reindexed from 1)		Y83 H84 T155 L221 P265 H272 I279 F283 Q312 F315
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.17: 3',5'-cyclic-nucleotide phosphodiesterase.
Gene Ontology
Molecular Function
GO:0004114 3',5'-cyclic-nucleotide phosphodiesterase activity
GO:0008081 phosphoric diester hydrolase activity
Biological Process
GO:0007165 signal transduction

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7lrc, PDBe:7lrc, PDBj:7lrc
PDBsum7lrc
PubMed34272366
UniProtQ14432|PDE3A_HUMAN cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A (Gene Name=PDE3A)

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