9BI2
Crystal structure of GMPPNP bound KRAS G12C in complex with CYPA and RMC-7977
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, D (A, C) | Isoform 2B of GTPase KRas | polymer | 170 | 19374.9 | 2 | UniProt (P01116) Pfam (PF00071) | Homo sapiens (human) | K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
| 2 | B, C (B, D) | Peptidyl-prolyl cis-trans isomerase A | polymer | 166 | 18093.6 | 2 | UniProt (P62937) Pfam (PF00160) | Homo sapiens (human) | PPIase A,Cyclophilin A,Cyclosporin A-binding protein,Rotamase A |
| 3 | E, I (A, C) | PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | non-polymer | 522.2 | 2 | Chemie (GNP) | |||
| 4 | F, J (A, C) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 5 | G, H (B, D) | (1R,5S,6r)-N-[(1P,7S,9S,13S,20M)-20-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1S)-1-methoxyethyl]pyridin-3-yl}-21-ethyl-17,17-dimethyl-8,14-dioxo-15-oxa-4-thia-9,21,27,28-tetraazapentacyclo[17.5.2.1~2,5~.1~9,13~.0~22,26~]octacosa-1(24),2,5(28),19,22,25-hexaen-7-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide | non-polymer | 865.1 | 2 | Chemie (ZNI) | |||
| 6 | K, L, M, N (A, B, D, C) | water | water | 18.0 | 351 | Chemie (HOH) |
Sequence modifications
A, C: 1 - 169 (UniProt: P01116)
B, D: 1 - 165 (UniProt: P62937)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Cys 12 | Gly 12 | engineered mutation |
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 74936.9 | |
| Non-Polymers* | Number of molecules | 6 |
| Total formula weight | 2823.2 | |
| All* | Total formula weight | 77760.1 |
