6AKY

The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 34

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5	polymer	381	43876.2	1	UniProt (P51681) UniProt (P00268) Pfam (PF00001) Pfam (PF00301) In PDB	Homo sapiens (Human)	CCR5,CHEMR13,HIV-1 fusion coreceptor,Rd
2	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	A	(2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate	non-polymer		356.5	1	Chemie (OLC)
4	A	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]octan-8-yl}-1-(thiophen-3-yl)propyl]cyclohexane-1-carboxamide	non-polymer		519.7	1	Chemie (A4X)

Sequence modifications

A: 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: 1001 - 1054 (UniProt: P00268)
A: 227 - 319 (UniProt: P51681)

PDB	External Database	Details
Asp 233	Ala 233	engineered mutation
Glu 303	Lys 303	engineered mutation
Gly 320	-	expression tag
Arg 321	-	expression tag
Pro 322	-	expression tag
Leu 323	-	expression tag
Glu 324	-	expression tag
Val 325	-	expression tag
Leu 326	-	expression tag
Phe 327	-	expression tag
Gln 328	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	43876.2
Non-Polymers*	Number of molecules	3
	Total formula weight	941.6
All*	Total formula weight	44817.9

*Water molecules are not included.