6GPX

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, B	C-C chemokine receptor type 2,Rubredoxin,C-C chemokine receptor type 2	polymer	349	39654.6	2	UniProt (P41597) UniProt (P00268) Pfam (PF00001) Pfam (PF00301) In PDB	Homo sapiens (Human)	CCR2,Monocyte chemoattractant protein 1 receptor,MCP-1-R,Rd,CCR2,Monocyte chemoattractant protein 1 receptor,MCP-1-R
2	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	A, B	OLEIC ACID	non-polymer		282.5	14	Chemie (OLA)
4	A, B	[(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	2	Chemie (F7N)
5		water	water		18.0	64	Chemie (HOH)

Sequence modifications

A, B: 29 - 231 (UniProt: P41597)

PDB	External Database	Details
Tyr 70	Cys 70	conflict
Asn 175	Gly 175	conflict

A, B: 232 - null (UniProt: P00268)
A, B: null - 372 (UniProt: P41597)

PDB	External Database	Details
Asp 292	Ala 241	conflict
Glu 373	-	expression tag
Val 374	-	expression tag
Leu 375	-	expression tag
Phe 376	-	expression tag
Gln 377	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	79309.2
Non-Polymers*	Number of molecules	17
	Total formula weight	4961.0
All*	Total formula weight	84270.2

*Water molecules are not included.