Structure of PDB 8syc Chain D Binding Site BS01

Receptor Information

>8syc Chain D (length=355) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

VEEYDSLIEKMSNWNFPIFELVEKMGEDSGRILSQVMYTLFQDTGLLEIF
KIPTQQFMNYFRALENGYRDIPYHNRIHATDVLHAVWYLTTRPVPGLQQI
HIAYISSKSCSNPDESYGCLSSNIPALELMALYVAAAMHDYDHPGRTNEF
LVATNAPQAVLYNDRSVLENHHAASAWNLYLSRPEYNFLLHLDHVEFERF
RFLVIEAILATDLKKHFDFLAEFNAKANDVNSNGIEWSNENDRLLVCQVC
IKLADINGPAKVRDLHLKWTEGIVNEFYEQGDEEANLGLPISPFMDRSDP
QLAKLQESFITHIVGPLCNSYDAAGLLPGQWLRIFCQLMHHLTENHKIWK
ENLYF

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mg+2]
CACTVS 3.341	[Mg++]

Formula

Name

MAGNESIUM ION

PDB chain

8syc Chain D Residue 1101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8syc Discovery and SAR Study of Boronic Acid-Based Selective PDE3B Inhibitors from a Novel DNA-Encoded Library.
Resolution	2.7 Å
Binding residue (original residue number in PDB)	H741 H821 D822 D937
Binding residue (residue number reindexed from 1)	H78 H139 D140 D255
Annotation score	1

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

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Molecular Function

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Biological Process

External links

PDB	RCSB:8syc, PDBe:8syc, PDBj:8syc
PDBsum	8syc
PubMed	38284310
UniProt	Q13370\|PDE3B_HUMAN cGMP-inhibited 3',5'-cyclic phosphodiesterase 3B (Gene Name=PDE3B)

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