4MBS

Crystal Structure of the CCR5 Chemokine Receptor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Chimera protein of C-C chemokine receptor type 5 and Rubredoxin	polymer	414	47516.3	2	UniProt (P51681) UniProt (P00268) Pfam (PF00001) Pfam (PF00301)	Homo sapiens	C-C CKR-5, CC-CKR-5, CCR-5, CCR5, CHEMR13, HIV-1 fusion coreceptor
2	C, K (A, B)	4,4-difluoro-N-[(1S)-3-{(3-exo)-3-[3-methyl-5-(propan-2-yl)-4H-1,2,4-triazol-4-yl]-8-azabicyclo[3.2.1]oct-8-yl}-1-phenylpropyl]cyclohexanecarboxamide	non-polymer		513.7	2	Chemie (MRV)
3	D, L (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	E, F, G, H, I... (A, B)	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	10	Chemie (OLC)
5	Q, R (A, B)	water	water		18.0	48	Chemie (HOH)

Sequence modifications

A, B: 2 - 223 (UniProt: P51681)

PDB	External Database	Details
Gly -1	-	expression tag
Ala 0	-	expression tag
Pro 1	-	expression tag
Tyr 58	Cys 58	engineered mutation
Asn 163	Gly 163	engineered mutation

A, B: 1001 - 1054 (UniProt: P00268)
A, B: 227 - 352 (UniProt: P51681)

PDB	External Database	Details
Asp 233	Ala 233	engineered mutation
Glu 303	Lys 303	engineered mutation
Gly 353	-	expression tag
Arg 354	-	expression tag
Pro 355	-	expression tag
Leu 356	-	expression tag
Glu 357	-	expression tag
Val 358	-	expression tag
Leu 359	-	expression tag
Phe 360	-	expression tag
Gln 361	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	95032.6
Non-Polymers*	Number of molecules	14
	Total formula weight	4723.6
All*	Total formula weight	99756.1

*Water molecules are not included.