3M2W
Crystal structure of MAPKAK kinase 2 (MK2) complexed with a spiroazetidine-tetracyclic ATP site inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | MAP kinase-activated protein kinase 2 | polymer | 299 | 34564.0 | 1 | UniProt (P49137) Pfam (PF00069) | Homo sapiens (human) | MAPK-activated protein kinase 2, MAPKAP kinase 2, MAPKAPK-2, MK2 |
| 2 | B (A) | 2'-(2-fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'H)-one | non-polymer | 388.4 | 1 | Chemie (L8I) | |||
| 3 | C (A) | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 4 | D (A) | water | water | 18.0 | 135 | Chemie (HOH) |
Sequence modifications
A: 47 - 364 (UniProt: P49137)
| PDB | External Database | Details |
|---|---|---|
| Gly 45 | - | expression tag |
| Pro 46 | - | expression tag |
| - | Ser 216 | deletion |
| - | His 217 | deletion |
| - | Asn 218 | deletion |
| - | Ser 219 | deletion |
| - | Leu 220 | deletion |
| - | Thr 221 | deletion |
| - | Thr 222 | deletion |
| - | Pro 223 | deletion |
| - | Cys 224 | deletion |
| - | Tyr 225 | deletion |
| - | Thr 226 | deletion |
| - | Pro 227 | deletion |
| - | Tyr 228 | deletion |
| - | Tyr 229 | deletion |
| - | Val 230 | deletion |
| - | Ala 231 | deletion |
| - | Pro 232 | deletion |
| - | Glu 233 | deletion |
| - | Val 234 | deletion |
| - | Leu 235 | deletion |
| - | Gly 236 | deletion |
| Gly 237 | Pro 237 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 34564.0 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 412.7 | |
| All* | Total formula weight | 34976.8 |
