Structure of PDB 1rkp Chain A Binding Site BS01

Receptor Information

>1rkp Chain A (length=311) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

EETRELQSLAAAVVPSAQTLKITDFSFSDFELSDLETALCTIRMFTDLNL
VQNFQMKHEVLCRWILSVKKNYRKNVAYHNWRHAFNTAQCMFAALKAGKI
QNKLTDLEILALLIAALSHDLDHRGVNNSYIQRSEHPLAQLYCHSIMEHH
HFDQCLMILNSPGNQILSGLSIEEYKTTLKIIKQAILATDLALYIKRRGE
FFELIRKNQFNLEDPHQKELFLAMLMTACDLSAITKPWPIQQRLAELVAT
EFFDQGDREKKNKIPSMQVGFIDAICLQLYEALTHVSEDCFPLLDGCRKN
RQKWQALAEQQ

Ligand information

Ligand ID

InChI

InChI=1S/Zn/q+2

InChIKey

PTFCDOFLOPIGGS-UHFFFAOYSA-N

SMILES

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

Formula

Name

ZINC ION

PDB chain

1rkp Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

Global view

Local view

Structure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

PDB	1rkp Crystal structures of phosphodiesterases 4 and 5 in complex with inhibitor IBMX suggest a conformation determinant of inhibitor selectivity
Resolution	2.05 Å
Binding residue (original residue number in PDB)	H617 H653 D654 D764
Binding residue (residue number reindexed from 1)	H83 H119 D120 D230
Annotation score	1

Enzymatic activity

Enzyme Commision number

3.1.4.35: 3',5'-cyclic-GMP 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:1rkp, PDBe:1rkp, PDBj:1rkp
PDBsum	1rkp
PubMed	14668322
UniProt	O76074\|PDE5A_HUMAN cGMP-specific 3',5'-cyclic phosphodiesterase (Gene Name=PDE5A)

[Back to BioLiP]