Structure of PDB 3zpq Chain A

Receptor sequence

>3zpqA (length=287) Species: 9103 (Meleagris gallopavo)

GAELLSQQWEAGMSLLMALVVLLIVAGNVLVIAAIGSTQRLQTLTNLFIT
SLACADLVVGLLVVPFGATLVVRGTWLWGSFLCELWTSLDVLCVTASIET
LCVIAIDRYLAITSPFRYQSLMTRARAKVIICTVWAISALVSFLPIMMHW
WRDEDPQALKCYQDPGCCDFVTNRAYAIASSIISFYIPLLIMIFVALRVY
REAKEQSRVMLMREHKALKTLGIIMGVFTLCWLPFFLVNIVNVFNRDLVP
DWLFVAFNWLGYANSAMNPIIYCRSPDFRKAFKRLLA

3D structure

• PDB: 3zpq Biophysical Fragment Screening of the Beta1-Adrenergic Receptor: Identification of High Affinity Aryl Piperazine Leads Using Structure-Based Drug Design.
• Chain: A
• Resolution: 2.8 Å

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	Y01	A	A206 I209 A210	A175 I178 A179
BS02	Y01	A	L78 C85 K159 W166	L47 C54 K128 W135
BS03	2CV	A	H286 L289 M296	H215 L218 M225
BS04	2CV	A	W181 D184 N204	W150 D153 N173
BS05	2CV	A	C163 W166	C132 W135
BS06	2CV	A	R205 F315	R174 F244
BS07	XF5	A	D121 V122 F201 W303 F306 F307 N329	D90 V91 F170 W232 F235 F236 N258	PDBbind-CN: -logKd/Ki=7.17,Ki=67.6nM
BS08	Y01	A	C133 I161 T164 I214	C102 I130 T133 I183
BS09	2CV	A	V160 T164	V129 T133

Gene Ontology

Molecular Function

• GO:0004930 G protein-coupled receptor activity
• GO:0004935 adrenergic receptor activity
• GO:0004940 beta1-adrenergic receptor activity

Biological Process

• GO:0007186 G protein-coupled receptor signaling pathway
• GO:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
• GO:0045823 positive regulation of heart contraction

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:3zpq, PDBe:3zpq, PDBj:3zpq
• PDBsum: 3zpq
• PubMed: 23517028
• UniProt: P07700|ADRB1_MELGA Beta-1 adrenergic receptor (Gene Name=ADRB1)