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6AKX

The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 21

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, B
(A, B)
C-C chemokine receptor type 5,Rubredoxin,C-C chemokine receptor type 5polymer38143876.22UniProt (P51681)
UniProt (P00268)
Pfam (PF00001)
Pfam (PF00301)
Homo sapiens (Human)CCR5,CHEMR13,HIV-1 fusion coreceptor,Rd
2C, F
(A, B)
ZINC IONnon-polymer65.42Chemie (ZN)
3D, G
(A, B)
NITRATE IONnon-polymer62.02Chemie (NO3)
4E, H
(A, B)
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-2-yl)propyl]cyclopentanecarboxamidenon-polymer469.72Chemie (A4R)
5I
(B)
waterwater18.01Chemie (HOH)
Sequence modifications
A, B: 2 - 223 (UniProt: P51681)
PDBExternal DatabaseDetails
Gly -1-expression tag
Ala 0-expression tag
Pro 1-expression tag
Tyr 58Cys 58engineered mutation
Asn 163Gly 163engineered mutation
A, B: 1001 - 1054 (UniProt: P00268)
A, B: 227 - 319 (UniProt: P51681)
PDBExternal DatabaseDetails
Asp 233Ala 233engineered mutation
Glu 303Lys 303engineered 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
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains2
Total formula weight87752.5
Non-Polymers*Number of molecules6
Total formula weight1194.2
All*Total formula weight88946.7
*Water molecules are not included.

238582

PDB entries from 2025-07-09

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