9RKE
Crystal Structure of compound 1-mediated ternary complex of KRAS G12R GCP with pVHL:ElonginC:ElonginB
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, E (A, E) | Elongin-B | polymer | 104 | 11748.4 | 2 | UniProt (Q15370) Pfam (PF00240) | Homo sapiens (human) | EloB,Elongin 18 kDa subunit,RNA polymerase II transcription factor SIII subunit B,SIII p18,Transcription elongation factor B polypeptide 2 |
| 2 | B, F (B, F) | Elongin-C | polymer | 97 | 10974.6 | 2 | UniProt (Q15369) Pfam (PF03931) | Homo sapiens (human) | EloC,Elongin 15 kDa subunit,RNA polymerase II transcription factor SIII subunit C,SIII p15,Transcription elongation factor B polypeptide 1 |
| 3 | C, G (C, G) | von Hippel-Lindau disease tumor suppressor | polymer | 162 | 18702.3 | 2 | UniProt (P40337) Pfam (PF01847) Pfam (PF17211) | Homo sapiens (human) | Protein G7,pVHL |
| 4 | D, H (D, H) | Isoform 2B of GTPase KRas | polymer | 170 | 19429.0 | 2 | UniProt (P01116) Pfam (PF00071) | Homo sapiens (human) | K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras |
| 5 | I (B) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 6 | J, O (D, H) | (2S,4R)-1-[(2R)-2-[3-[4-[(3S)-4-[4-[5-[(4S)-2-azanyl-3-cyano-4-methyl-6,7-dihydro-5H-1-benzothiophen-4-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-2-yl]-3-methyl-1,4-diazepan-1-yl]butoxy]-1,2-oxazol-5-yl]-3-methyl-butanoyl]-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-4-oxidanyl-pyrrolidine-2-carboxamide | non-polymer | 989.2 | 2 | Chemie (X53) | |||
| 7 | K, P (D, H) | PHOSPHOMETHYLPHOSPHONIC ACID GUANYLATE ESTER | non-polymer | 521.2 | 2 | Chemie (GCP) | |||
| 8 | L, Q (D, H) | MAGNESIUM ION | non-polymer | 24.3 | 2 | Chemie (MG) | |||
| 9 | M, N (D, F) | CITRATE ANION | non-polymer | 189.1 | 2 | Chemie (FLC) | |||
| 10 | R, S, T, U, V (A, D, F, G, H) | water | water | 18.0 | 6 | Chemie (HOH) |
Sequence modifications
B, F: 17 - 112 (UniProt: Q15369)
C, G: 54 - 213 (UniProt: P40337)
D, H: 1 - 169 (UniProt: P01116)
| PDB | External Database | Details |
|---|---|---|
| Met 16 | - | initiating methionine |
| PDB | External Database | Details |
|---|---|---|
| Gly 52 | - | expression tag |
| Ser 53 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Arg 12 | Gly 12 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 121708.5 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 3539.8 | |
| All* | Total formula weight | 125248.3 |
