6AKX
The Crystal structure of Human Chemokine Receptor CCR5 in complex with compound 21
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 5,Rubredoxin,C-C chemokine receptor type 5 | polymer | 381 | 43876.2 | 2 | UniProt (P51681) UniProt (P00268) Pfam (PF00001) Pfam (PF00301) In PDB | Homo sapiens (Human) | CCR5,CHEMR13,HIV-1 fusion coreceptor,Rd |
2 | A, B | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
3 | A, B | NITRATE ION | non-polymer | 62.0 | 2 | Chemie (NO3) | |||
4 | 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]cyclopentanecarboxamide | non-polymer | 469.7 | 2 | Chemie (A4R) | |||
5 | water | water | 18.0 | 1 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 223 (UniProt: P51681)
A, B: 1001 - 1054 (UniProt: P00268)
A, B: 227 - 319 (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: 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 |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 87752.5 | |
Non-Polymers* | Number of molecules | 6 |
Total formula weight | 1194.2 | |
All* | Total formula weight | 88946.7 |