4EUU
Structure of BX-795 Complexed with Human TBK1 Kinase Domain Phosphorylated on Ser172
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Serine/threonine-protein kinase TBK1 | polymer | 319 | 36179.0 | 2 | UniProt (Q9UHD2) Pfam (PF00069) In PDB | Homo sapiens (human) | NF-kappa-B-activating kinase, T2K, TANK-binding kinase 1 |
2 | A, B | N-(3-{[5-iodo-4-({3-[(thiophen-2-ylcarbonyl)amino]propyl}amino)pyrimidin-2-yl]amino}phenyl)pyrrolidine-1-carboxamide | non-polymer | 591.5 | 2 | Chemie (BX7) | |||
3 | A, B | IODIDE ION | non-polymer | 126.9 | 2 | Chemie (IOD) | |||
4 | A, B | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
5 | A, B | GLYCEROL | non-polymer | 92.1 | 7 | Chemie (GOL) | |||
6 | water | water | 18.0 | 555 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 308 (UniProt: Q9UHD2)
PDB | External Database | Details |
---|---|---|
Met -1 | - | EXPRESSION TAG |
Gly 0 | - | EXPRESSION TAG |
Ser 1 | - | EXPRESSION TAG |
Asn 135 | Asp 135 | ENGINEERED MUTATION |
Gly 309 | - | EXPRESSION TAG |
Asn 310 | - | EXPRESSION TAG |
Ser 311 | - | EXPRESSION TAG |
His 312 | - | EXPRESSION TAG |
His 313 | - | EXPRESSION TAG |
His 314 | - | EXPRESSION TAG |
His 315 | - | EXPRESSION TAG |
His 316 | - | EXPRESSION TAG |
His 317 | - | EXPRESSION TAG |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 72358.0 | |
Non-Polymers* | Number of molecules | 14 |
Total formula weight | 2369.6 | |
All* | Total formula weight | 74727.6 |