8WB1
Crystal Structure of small molecule KN2H covalently bound to K-Ras(G12D)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | GTPase KRas | polymer | 170 | 19386.8 | 1 | UniProt (H2Q5M0) Pfam (PF00071) In PDB | Homo sapiens (human) | Ki-Ras |
| 2 | A | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 1 | Chemie (GDP) | |||
| 3 | A | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
| 4 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 5 | A | 1-[(1~{S},5~{R})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]ethanone | non-polymer | 642.7 | 1 | Chemie (W3T) | |||
| 6 | water | water | 18.0 | 103 | Chemie (HOH) |
Sequence modifications
A: 1 - 170 (UniProt: H2Q5M0)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Asp 12 | Gly 12 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 19386.8 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 1172.2 | |
| All* | Total formula weight | 20559.1 |
