9CTB
Tri-complex of zoldonrasib (RMC-9805), KRAS G12D, and CypA
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (D, C) | Peptidyl-prolyl cis-trans isomerase A | polymer | 166 | 18123.6 | 2 | UniProt (P62937) Pfam (PF00160) | Homo sapiens (human) | PPIase A,Cyclophilin A,Cyclosporin A-binding protein,Rotamase A |
| 2 | C, D (B, A) | Isoform 2B of GTPase KRas | polymer | 170 | 19416.9 | 2 | UniProt (P01116) Pfam (PF00071) | Homo sapiens (human) | K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
| 3 | E, I (B, A) | PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER | non-polymer | 522.2 | 2 | Chemie (GNP) | |||
| 4 | F, J (B, A) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 5 | G, K (B, A) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 6 | H, L (B, A) | (2R)-2-cyclopentyl-2-{(5S)-7-[(2R)-3-cyclopropyl-2-(methylamino)propanoyl]-2,7-diazaspiro[4.4]nonan-2-yl}-N-[(2S,6R,8S,10R,14S,21M)-21-{5-(4-cyclopropylpiperazin-1-yl)-2-[(1R)-1-methoxyethyl]pyridin-3-yl}-18,18-dimethyl-9,15-dioxo-22-(2,2,2-trifluoroethyl)-5,16-dioxa-2,10,22,28-tetraazapentacyclo[18.5.2.1~2,6~.1~10,14~.0~23,27~]nonacosa-1(25),20,23,26-tetraen-8-yl]acetamide (non-preferred name) | non-polymer | 1170.5 | 2 | Chemie (A1AZZ) | |||
| 7 | M, N, O, P (D, C, B, A) | water | water | 18.0 | 811 | Chemie (HOH) |
Sequence modifications
D, C: 1 - 165 (UniProt: P62937)
B, A: 1 - 169 (UniProt: P01116)
| PDB | External Database | Details |
|---|---|---|
| Ser 0 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Ser 0 | - | expression tag |
| Asp 12 | Gly 12 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 75080.9 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 3504.8 | |
| All* | Total formula weight | 78585.7 |
