5T1A
Structure of CC Chemokine Receptor 2 with Orthosteric and Allosteric Antagonists
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Chimera protein of CC chemokine receptor type 2 isoform B and T4-lysozyme,Lysozyme | polymer | 508 | 57928.4 | 1 | UniProt (P41597) UniProt (D9IEF7) Pfam (PF00001) Pfam (PF00959) UniProt (by SIFTS) (P00720) | Homo sapiens (Human) | CCR2,Monocyte chemoattractant protein 1 receptor,MCP-1-R,CCR2,Monocyte chemoattractant protein 1 receptor,MCP-1-R |
| 2 | B (A) | (3S)-1-{(1S,2R,4R)-4-[methyl(propan-2-yl)amino]-2-propylcyclohexyl}-3-{[6-(trifluoromethyl)quinazolin-4-yl]amino}pyrrolidin-2-one | non-polymer | 491.6 | 1 | Chemie (73R) | |||
| 3 | C (A) | (2~{R})-1-(4-chloranyl-2-fluoranyl-phenyl)-2-cyclohexyl-3-ethanoyl-4-oxidanyl-2~{H}-pyrrol-5-one | non-polymer | 351.8 | 1 | Chemie (VT5) | |||
| 4 | D, E, F, G (A) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 5 | H (A) | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | non-polymer | 356.5 | 1 | Chemie (OLC) | |||
| 6 | I (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 7 | J (A) | water | water | 18.0 | 17 | Chemie (HOH) |
Sequence modifications
A: 2 - 233 (UniProt: P41597)
A: 1002 - 1162 (UniProt: D9IEF7)
A: 234 - 328 (UniProt: P41597)
| PDB | External Database | Details |
|---|---|---|
| Asp -9 | - | expression tag |
| Tyr -8 | - | expression tag |
| Lys -7 | - | expression tag |
| Asp -6 | - | expression tag |
| Asp -5 | - | expression tag |
| Asp -4 | - | expression tag |
| Asp -3 | - | expression tag |
| Lys -2 | - | expression tag |
| Pro -1 | - | expression tag |
| Gly 0 | - | expression tag |
| Thr 1 | - | expression tag |
| Ser 226 | Leu 226 | engineered mutation |
| Arg 227 | Lys 227 | engineered mutation |
| Ala 228 | Thr 228 | engineered mutation |
| Ser 229 | Leu 229 | engineered mutation |
| Lys 230 | Leu 230 | engineered mutation |
| Ser 231 | Arg 231 | engineered mutation |
| Arg 232 | Cys 232 | engineered mutation |
| Ile 233 | Arg 233 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Thr 1054 | Cys 54 | engineered mutation |
| Ala 1097 | Cys 97 | engineered mutation |
| Pro 1162 | Lys 162 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Pro 234 | Asn 234 | engineered mutation |
| Pro 235 | Glu 235 | engineered mutation |
| Ser 236 | Lys 236 | engineered mutation |
| Arg 237 | Lys 237 | engineered mutation |
| Glu 238 | Arg 238 | engineered mutation |
| Lys 239 | His 239 | engineered mutation |
| Lys 240 | Arg 240 | engineered mutation |
| Gly 329 | - | engineered mutation |
| Arg 330 | - | engineered mutation |
| Pro 331 | - | engineered mutation |
| Leu 332 | - | engineered mutation |
| Glu 333 | - | engineered mutation |
| Val 334 | - | expression tag |
| Leu 335 | - | expression tag |
| Phe 336 | - | expression tag |
| Gln 337 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 57928.4 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1649.6 | |
| All* | Total formula weight | 59577.9 |
