8UAQ

Crystal Structure of Human G Protein-Coupled Receptor Kinase 5 in Complex with GRL018-21

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	G protein-coupled receptor kinase 5	polymer	598	68931.7	1	UniProt (P34947) Pfam (PF00615) Pfam (PF00069) In PDB	Homo sapiens (human)
2	A	(3Z)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-[(4-{[(2S)-2-(furan-2-yl)-2-hydroxyacetyl]amino}-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-2,3-dihydro-1H-indole-5-carboxamide	non-polymer		542.6	1	Chemie (W3F)
3		water	water		18.0	33	Chemie (HOH)

Sequence modifications

A: 1 - 590 (UniProt: P34947)

PDB	External Database	Details
Asn 311	Asp 311	engineered mutation
Val 591	-	expression tag
Asp 592	-	expression tag
His 593	-	expression tag
His 594	-	expression tag
His 595	-	expression tag
His 596	-	expression tag
His 597	-	expression tag
His 598	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	68931.7
Non-Polymers*	Number of molecules	1
	Total formula weight	542.6
All*	Total formula weight	69474.3

*Water molecules are not included.