9U99
Crystal structure of KRAS-G12D/E62K mutant in complex with MRTX-1133
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Isoform 2B of GTPase KRas | polymer | 189 | 21604.3 | 4 | UniProt (P01116) Pfam (PF00071) | Homo sapiens (human) | GTPase KRAS,K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
| 2 | E, H, K, N (A, B, C, D) | 4-(4-[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-7-yl)-5-ethynyl-6-fluoronaphthalen-2-ol | non-polymer | 600.6 | 4 | Chemie (6IC) PubChem (177366592) PubChem (162369732) PubChem (166603898) PubChem (166607374) PubChem (169273440) PubChem (169410089) PubChem (171346253) PubChem (156124857) PubChem (172156090) PubChem (166080707) PubChem (169041315) | |||
| 3 | F, I, L, O (A, B, C, D) | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 4 | Chemie (GDP) PubChem (136073927) PubChem (135398619) PubChem (135402030) PubChem (135431654) PubChem (135566337) PubChem (135760556) PubChem (136026707) PubChem (136053418) PubChem (136663964) PubChem (136664748) PubChem (136759848) PubChem (136759849) PubChem (136759850) PubChem (136836636) PubChem (136847074) PubChem (172898537) | |||
| 4 | G, J, M, P (A, B, C, D) | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) PubChem (888) | |||
| 5 | Q, R, S, T (A, B, C, D) | water | water | 18.0 | 158 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 1 - 169 (UniProt: P01116)
| PDB | External Database | Details |
|---|---|---|
| Met -19 | - | initiating methionine |
| Gly -18 | - | expression tag |
| Ser -17 | - | expression tag |
| Ser -16 | - | expression tag |
| His -15 | - | expression tag |
| His -14 | - | expression tag |
| His -13 | - | expression tag |
| His -12 | - | expression tag |
| His -11 | - | expression tag |
| His -10 | - | expression tag |
| Ser -9 | - | expression tag |
| Ser -8 | - | expression tag |
| Gly -7 | - | expression tag |
| Glu -6 | - | expression tag |
| Asn -5 | - | expression tag |
| Leu -4 | - | expression tag |
| Tyr -3 | - | expression tag |
| Phe -2 | - | expression tag |
| Gln -1 | - | expression tag |
| Gly 0 | - | expression tag |
| Asp 12 | Gly 12 | engineered mutation |
| Lys 62 | Glu 62 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 86417.0 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 4272.6 | |
| All* | Total formula weight | 90689.6 |
