7T47
KRAS G12D (GppCp) 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 | GTPase KRas | polymer | 188 | 21565.1 | 1 | UniProt (P01116) Pfam (PF00071) In PDB | Homo sapiens (human) | K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
2 | A | 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 | 1 | Chemie (6IC) | |||
3 | A | PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | non-polymer | 521.2 | 1 | Chemie (GCP) | |||
4 | A | GUANOSINE-5'-DIPHOSPHATE | non-polymer | 443.2 | 1 | Chemie (GDP) | |||
5 | A | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
6 | A | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) | |||
7 | A | MAGNESIUM ION | non-polymer | 24.3 | 1 | Chemie (MG) | |||
8 | water | water | 18.0 | 232 | Chemie (HOH) |
Sequence modifications
A: 1 - 164 (UniProt: P01116)
PDB | External Database | Details |
---|---|---|
Met -18 | - | expression tag |
Gly -17 | - | expression tag |
His -16 | - | expression tag |
His -15 | - | expression tag |
His -14 | - | expression tag |
His -13 | - | expression tag |
His -12 | - | expression tag |
His -11 | - | expression tag |
Ser -10 | - | expression tag |
Ser -9 | - | expression tag |
Gly -8 | - | expression tag |
Arg -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 |
Ser 51 | Cys 51 | engineered mutation |
Leu 80 | Cys 80 | engineered mutation |
Ser 118 | Cys 118 | engineered mutation |
Gly 151 | Arg 151 | conflict |
Asp 153 | Glu 153 | conflict |
Lys 165 | - | expression tag |
His 166 | - | expression tag |
Lys 167 | - | expression tag |
Glu 168 | - | expression tag |
Lys 169 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 1 |
Total formula weight | 21565.1 | |
Non-Polymers* | Number of molecules | 6 |
Total formula weight | 1740.5 | |
All* | Total formula weight | 23305.6 |