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 (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) | Homo sapiens (Human) | CCR5,CHEMR13,HIV-1 fusion coreceptor,Rd |
| 2 | C, F (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 3 | D, G (A, B) | NITRATE ION | non-polymer | 62.0 | 2 | Chemie (NO3) | |||
| 4 | E, 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]cyclopentanecarboxamide | non-polymer | 469.7 | 2 | Chemie (A4R) | |||
| 5 | I (B) | 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 |
