UniProt P01116
GTPase KRas (P01116)
GTPase KRas (UniProt P01116), EC 3.6.5.2: 398 experimental structures and 1 predicted model on GenesisL1, 112 ligands bound, 339 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P01116
- Protein
- GTPase KRas
- EC
- 3.6.5.2
- Experimental structures
- 398
- Predicted models
- 1
- Ligands
- 112
- Pockets
- 339 · 68 records with a druggable one
Structures
399 records of P01116 in the MolNFT archive: 398 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1D8D | Co-crystal structure of rat protein farnesyltransferase complexed with a K-RAS4B peptide substrate… | x-ray diffraction | P | — | — |
| 1D8D | Co-crystal structure of rat protein farnesyltransferase complexed with a K-RAS4B peptide substrate… | x-ray diffraction | P | — | — |
| 1D8E | Zinc-depleted FTase complexed with K-RAS4B peptide substrate and FPP analog. | x-ray diffraction | P | — | — |
| 1D8E | Zinc-depleted ftase complexed with K-RAS4B peptide substrate and fpp analog. | x-ray diffraction | P | — | — |
| 2MSC | NMR data-driven model of GTPase KRas-GDP tethered to a lipid-bilayer nanodisc | solution nmr | B | — | — |
| 2MSC | NMR data-driven model of GTPase KRAS-GDP tethered to a lipid-bilayer nanodisc | solution nmr | B | — | — |
| 2MSD | NMR data-driven model of GTPase KRas-GNP tethered to a lipid-bilayer nanodisc | solution nmr | B | — | — |
| 2MSD | NMR data-driven model of GTPase KRAS-gnp tethered to a lipid-bilayer nanodisc | solution nmr | B | — | — |
| 2MSE | NMR data-driven model of GTPase KRas-GNP:ARafRBD complex tethered to a lipid-bilayer nanodisc | solution nmr | B | — | — |
| 2MSE | NMR data-driven model of GTPase KRAS-GNP:ARAFRBD complex tethered to a lipid-bilayer nanodisc | solution nmr | B | — | — |
| 3GFT | Human K-Ras (Q61H) in complex with a GTP analogue | x-ray diffraction | A, B, C, D, E, F | — | — |
| 3GFT | Human K-RAS (Q61H) in complex with a GTP analogue | x-ray diffraction | A, B, C, D, E, F | — | — |
| 4DSN | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide… | x-ray diffraction | A | — | — |
| 4DSN | Small-molecule ligands bind to a distinct pocket in RAS and inhibit sos-mediated nucleotide… | x-ray diffraction | A | — | — |
| 4DSO | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide… | x-ray diffraction | A | — | — |
| 4DSO | Small-molecule ligands bind to a distinct pocket in RAS and inhibit sos-mediated nucleotide… | x-ray diffraction | A | — | — |
| 4DST | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide… | x-ray diffraction | A | — | — |
| 4DST | Small-molecule ligands bind to a distinct pocket in RAS and inhibit sos-mediated nucleotide… | x-ray diffraction | A | — | — |
| 4DSU | Small-molecule ligands bind to a distinct pocket in Ras and inhibit SOS-mediated nucleotide… | x-ray diffraction | A | — | — |
| 4DSU | Small-molecule ligands bind to a distinct pocket in RAS and inhibit sos-mediated nucleotide… | x-ray diffraction | A | — | — |
| 4EPR | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-Mediated Activation. | x-ray diffraction | A | — | — |
| 4EPR | Discovery of small molecules that bind to K-RAS and inhibit sos- mediated activation. | x-ray diffraction | A | — | — |
| 4EPT | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | x-ray diffraction | A | — | — |
| 4EPT | Discovery of small molecules that bind to K-RAS and inhibit sos- mediated activation | x-ray diffraction | A | — | — |
| 4EPV | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | x-ray diffraction | A | — | — |
| 4EPV | Discovery of small molecules that bind to K-RAS and inhibit sos- mediated activation | x-ray diffraction | A | — | — |
| 4EPW | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | x-ray diffraction | A | — | — |
| 4EPW | Discovery of small molecules that bind to K-RAS and inhibit sos- mediated activation | x-ray diffraction | A | — | — |
| 4EPX | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | x-ray diffraction | A | — | — |
| 4EPX | Discovery of small molecules that bind to K-RAS and inhibit sos- mediated activation | x-ray diffraction | A | — | — |
| 4EPY | Discovery of Small Molecules that Bind to K-Ras and Inhibit Sos-mediated Activation | x-ray diffraction | A | — | — |
| 4EPY | Discovery of small molecules that bind to K-RAS and inhibit sos- mediated activation | x-ray diffraction | A | — | — |
| 4L8G | Crystal Structure of K-Ras G12C, GDP-bound | x-ray diffraction | A | — | — |
| 4L8G | Crystal structure of K-RAS G12C, GDP-bound | x-ray diffraction | A | — | — |
| 4LDJ | Crystal Structure of a GDP-bound G12C Oncogenic Mutant of Human GTPase KRas | x-ray diffraction | A | — | — |
| 4LDJ | Crystal structure of a GDP-bound G12C oncogenic mutant of human GTPase KRAS | x-ray diffraction | A | — | — |
| 4LPK | Crystal Structure of K-Ras WT, GDP-bound | x-ray diffraction | A, B | — | — |
| 4LPK | Crystal structure of K-RAS wt, GDP-bound | x-ray diffraction | A, B | — | — |
| 4LRW | Crystal Structure of K-Ras G12C (cysteine-light), GDP-bound | x-ray diffraction | A, B | — | — |
| 4LRW | Crystal structure of K-RAS G12C (cysteine-light), GDP-bound | x-ray diffraction | A, B | — | — |
| 4LUC | Crystal Structure of small molecule disulfide 6 bound to K-Ras G12C | x-ray diffraction | A, B | — | — |
| 4LUC | Crystal structure of small molecule disulfide 6 bound to K-RAS G12C | x-ray diffraction | A, B | — | — |
| 4LV6 | Crystal Structure of small molecule disulfide 4 covalently bound to K-Ras G12C | x-ray diffraction | A, B | — | — |
| 4LV6 | Crystal structure of small molecule disulfide 4 covalently bound to K- RAS G12C | x-ray diffraction | A, B | — | — |
| 4LYF | Crystal Structure of small molecule vinylsulfonamide 8 covalently bound to K-Ras G12C | x-ray diffraction | A, B, C | — | — |
| 4LYF | Crystal structure of small molecule vinylsulfonamide 8 covalently bound to K-RAS G12C | x-ray diffraction | A, B, C | — | — |
| 4LYH | Crystal Structure of small molecule vinylsulfonamide 9 covalently bound to K-Ras G12C | x-ray diffraction | A, B, C | — | — |
| 4LYH | Crystal structure of small molecule vinylsulfonamide 9 covalently bound to K-RAS G12C | x-ray diffraction | A, B, C | — | — |
| 4LYJ | Crystal Structure of small molecule vinylsulfonamide 9 covalently bound to K-Ras G12C, alternative… | x-ray diffraction | A | — | — |
| 4LYJ | Crystal structure of small molecule vinylsulfonamide 9 covalently bound to K-RAS G12C, alternative… | x-ray diffraction | A | — | — |
| 4M1O | Crystal Structure of small molecule vinylsulfonamide 7 covalently bound to K-Ras G12C | x-ray diffraction | A, B, C | — | — |
| 4M1O | Crystal structure of small molecule vinylsulfonamide 7 covalently bound to K-RAS G12C | x-ray diffraction | A, B, C | — | — |
| 4M1S | Crystal Structure of small molecule vinylsulfonamide 13 covalently bound to K-Ras G12C | x-ray diffraction | A, B, C | — | — |
| 4M1S | Crystal structure of small molecule vinylsulfonamide 13 covalently bound to K-RAS G12C | x-ray diffraction | A, B, C | — | — |
| 4M1T | Crystal Structure of small molecule vinylsulfonamide 14 covalently bound to K-Ras G12C | x-ray diffraction | A, B, C | — | — |
| 4M1T | Crystal structure of small molecule vinylsulfonamide 14 covalently bound to K-RAS G12C | x-ray diffraction | A, B, C | — | — |
| 4M1W | Crystal Structure of small molecule vinylsulfonamide covalently bound to K-Ras G12C | x-ray diffraction | A, B, C | — | — |
| 4M1W | Crystal structure of small molecule vinylsulfonamide covalently bound to K-RAS G12C | x-ray diffraction | A, B, C | — | — |
| 4M1Y | Crystal Structure of small molecule vinylsulfonamide 15 covalently bound to K-Ras G12C | x-ray diffraction | A, B, C | — | — |
| 4M1Y | Crystal structure of small molecule vinylsulfonamide 15 covalently bound to K-RAS G12C | x-ray diffraction | A, B, C | — | — |
339 records more on the page itself.
Ligands
- MG · Magnesium ion · in 243 records
- GDP · Guanosine-5'-diphosphate · in 156 records
- GNP · Phosphoaminophosphonic acid-guanylate ester · in 81 records
- GCP · Phosphomethylphosphonic acid guanylate ester · in 26 records
- CA · Calcium ion · in 20 records
- GSP · 5'-guanosine-diphosphate-monothiophosphate · in 14 records
- SO4 · Sulfate ion · in 14 records
- 17F · O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine · in 12 records
- CL · Chloride ion · in 11 records
- PCW · 1,2-dioleoyl-sn-glycero-3-phosphocholine · in 11 records
- R6W · (3~{S})-5-oxidanyl-3-[2-[[6-[[3-[(1~{S})-6-oxidanyl-3-oxidanylidene-1,2-dihydroisoindol-1-yl]-1~{H}-indol-2-yl]methylamino]hexylamino]methyl]-1~{H}-indol-3-yl]-2, 3-dihydroisoindol-1-one · in 6 records
- ZNI · (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 · in 6 records
- MOV · AMG 510 (bound form) · in 5 records
- NA · Sodium ion · in 5 records
- FAR · Farnesyl · in 4 records
- GTP · Guanosine-5'-triphosphate · in 4 records
- PO4 · Phosphate ion · in 4 records
- 7Q9 · [(2~{R})-3-[oxidanyl-[2-(trimethyl-$L^{4}-azanyl) ethoxy]phosphoryl]oxy-2-propanoyloxy-propyl] (~{Z})-octadec-9-enoate · in 3 records
- 8ZG · 1-{4-[6-chloro-7-(2-fluorophenyl)quinazolin-4-yl]piperazin-1-yl}propan-1-one · in 3 records
- 9R5 · [(2~{R})-6-chloranyl-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine · in 3 records
- AF3 · Aluminum fluoride · in 3 records
- EWS · (2R,4S)-4-[(5-bromo-1H-indole-3-carbonyl)amino]-2-[(4-chlorophenyl)methyl]piperidin-1-ium · in 3 records
- F0K · (3~{S})-3-[2-[[[1-[(1-methylimidazol-4-yl)methyl]indol-6-yl]methylamino]methyl]-1~{H}-indol-3-yl]-5-oxidanyl-2,3-dihydroisoindol-1-one · in 3 records
- 05C · 7-(8-methylnaphthalen-1-yl)-4-[(2~{R})-2-methylpiperazin-1-yl]-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine · in 2 records
- 05F · 4-[(1~{R},5~{S})-3,8-diazabicyclo[3.2.1]octan-8-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine · in 2 records
- 05I · 4-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2~{S})-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5~{H}-pyrido[3,4-d]pyrimidine · in 2 records
- 6IC · 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 · in 2 records
- 6ZD · 5'-O-[(R)-[({2-[(chloroacetyl)amino]ethyl}sulfamoyl) methyl](hydroxy)phosphoryl]guanosine · in 2 records
- 8YA · 3-amino-1-{4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl}propan-1-one · in 2 records
- 8YD · 1-{4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl) quinazolin-4-yl]piperazin-1-yl}propan-1-one · in 2 records
Experiment against prediction
- 5O2T chain A against the predicted model P01116: TM-score 0.99, RMSD 0.39 Å
- 3GFT chain D against the predicted model P01116: TM-score 0.99, RMSD 0.37 Å
- 7SCX chain A against the predicted model P01116: TM-score 0.99, RMSD 0.45 Å
- 6OB3 chain C against the predicted model P01116: TM-score 0.99, RMSD 0.44 Å
- 8T74 chain A against the predicted model P01116: TM-score 0.99, RMSD 0.48 Å
- 8EIE chain A against the predicted model P01116: TM-score 0.99, RMSD 0.49 Å
- 7ACA chain C against the predicted model P01116: TM-score 0.99, RMSD 0.50 Å
- 6GJ5 chain A against the predicted model P01116: TM-score 0.99, RMSD 0.51 Å
- 4M1S chain C against the predicted model P01116: TM-score 0.99, RMSD 0.48 Å
- 6GJ7 chain A against the predicted model P01116: TM-score 0.99, RMSD 0.51 Å
Elsewhere
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