8UOI
Crystal structure of human NUAK1-MARK3 kinase domain chimera bound with small molecule inhibitor #65
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/microtubule affinity-regulating kinase 3 | polymer | 328 | 37902.8 | 1 | UniProt (P27448) Pfam (PF00069) Pfam (PF00627) | Homo sapiens (human) | C-TAK1,cTAK1,Cdc25C-associated protein kinase 1,ELKL motif kinase 2,EMK-2,Protein kinase STK10,Ser/Thr protein kinase PAR-1,Par-1a,Serine/threonine-protein kinase p78 |
| 2 | B (A) | (7M)-7-[(4S)-imidazo[1,2-b]pyridazin-3-yl]-1-[(1R)-1-phenylethyl]-3-(piperazin-1-yl)pyrido[3,4-b]pyrazin-2(1H)-one | non-polymer | 452.5 | 1 | Chemie (X3Q) PubChem (172055181) | |||
| 3 | C, D, E, F, G (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 5 | Chemie (EDO) | |||
| 4 | H (A) | water | water | 18.0 | 226 | Chemie (HOH) |
Sequence modifications
A: 48 - 370 (UniProt: P27448)
| PDB | External Database | Details |
|---|---|---|
| Gly 43 | - | expression tag |
| Ala 44 | - | expression tag |
| Met 45 | - | expression tag |
| Gly 46 | - | expression tag |
| Ser 47 | - | expression tag |
| Leu 62 | Ile 62 | engineered mutation |
| Arg 72 | Leu 72 | engineered mutation |
| Ile 116 | Val 116 | engineered mutation |
| Lys 137 | Gly 137 | engineered mutation |
| Tyr 141 | Phe 141 | engineered mutation |
| Glu 146 | Ala 146 | engineered mutation |
| Lys 205 | Val 205 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 37902.8 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 762.9 | |
| All* | Total formula weight | 38665.7 |
