6GPS

CRYSTAL STRUCTURE OF CCR2A IN COMPLEX WITH MK-0812

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	C-C chemokine receptor type 2,Rubredoxin,C-C chemokine receptor type 2	polymer	429	48278.2	1	UniProt (P41597) UniProt (P00268) Pfam (PF00001) Pfam (PF00301)	Homo sapiens (Human)	CCR2,Monocyte chemoattractant protein 1 receptor,MCP-1-R,Rd,CCR2,Monocyte chemoattractant protein 1 receptor,MCP-1-R
2	B (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	C (A)	[(3~{S},4~{S})-3-methoxyoxan-4-yl]-[(1~{R},3~{S})-3-propan-2-yl-3-[[3-(trifluoromethyl)-7,8-dihydro-5~{H}-1,6-naphthyridin-6-yl]carbonyl]cyclopentyl]azanium	non-polymer		470.5	1	Chemie (F7N)

Sequence modifications

A: 2 - 231 (UniProt: P41597)

PDB	External Database	Details
Gln 14	Asn 14	engineered mutation
Tyr 70	Cys 70	engineered mutation
Asn 175	Gly 175	engineered mutation

A: 1001 - 1054 (UniProt: P00268)
A: 235 - 374 (UniProt: P41597)

PDB	External Database	Details
Asp 241	Ala 241	engineered mutation
Glu 311	Lys 311	engineered mutation
Glu 375	-	expression tag
Val 376	-	expression tag
Leu 377	-	expression tag
Phe 378	-	expression tag
Gln 379	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	48278.2
Non-Polymers*	Number of molecules	2
	Total formula weight	536.0
All*	Total formula weight	48814.1

*Water molecules are not included.