Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T17919 | Target Info | |||
| Target Name | RET V804M mutant (RET V804M) | ||||
| Synonyms | RET51 V804M mutant; Proto-oncogene tyrosine-protein kinase receptor Ret V804M mutant; Proto-oncogene c-Ret V804M mutant; PTC V804M mutant; Cadherin family member 12 V804M mutant; CDHR16 V804M mutant; CDHF12 V804M mutant | ||||
| Target Type | Patented-recorded Target | ||||
| Gene Name | RET | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Phosphonotyrosine | Ligand Info | |||||
| Structure Description | Crystal structure of phosphorylated RET V804M tyrosine kinase domain complexed with PDD00018366 | PDB:6I83 | ||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | Yes | [1] |
| PDB Sequence |
GPLSLSVDAF
709 KILEDPKWEF719 PRKNLVLGKT729 LGEGEFGKVV739 KATAFHLKGR749 AGYTTVAVKM 759 LKENASPSEL769 RDLLSEFNVL779 KQVNHPHVIK789 LYGACSQDGP799 LLLIMEYAKY 809 GSLRGFLRES819 RKRALTMGDL851 ISFAWQISQG861 MQYLAEMKLV871 HRDLAARNIL 881 VAEGRKMKIS891 DFGLSRDVYE901 EDSVKRSQGR912 IPVKWMAIES922 LFDHIYTTQS 932 DVWSFGVLLW942 EIVTLGGNPY952 PGIPPERLFN962 LLKTGHRMER972 PDNCSEEMYR 982 LMLQCWKQEP992 DKRPVFADIS1002 KDLEKMMVKR1012 R
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 4-(5-((Pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide | Ligand Info | |||||
| Structure Description | Crystal structure of phosphorylated RET V804M tyrosine kinase domain complexed with PDD00018366 | PDB:6I83 | ||||
| Method | X-ray diffraction | Resolution | 1.88 Å | Mutation | Yes | [1] |
| PDB Sequence |
GPLSLSVDAF
709 KILEDPKWEF719 PRKNLVLGKT729 LGEGEFGKVV739 KATAFHLKGR749 AGYTTVAVKM 759 LKENASPSEL769 RDLLSEFNVL779 KQVNHPHVIK789 LYGACSQDGP799 LLLIMEYAKY 809 GSLRGFLRES819 RKRALTMGDL851 ISFAWQISQG861 MQYLAEMKLV871 HRDLAARNIL 881 VAEGRKMKIS891 DFGLSRDVYE901 EDSVKRSQGR912 IPVKWMAIES922 LFDHIYTTQS 932 DVWSFGVLLW942 EIVTLGGNPY952 PGIPPERLFN962 LLKTGHRMER972 PDNCSEEMYR 982 LMLQCWKQEP992 DKRPVFADIS1002 KDLEKMMVKR1012 R
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LEU730
3.606
GLY731
3.971
PHE735
3.530
VAL738
3.906
ALA756
3.298
LYS758
2.758
GLU775
2.840
LEU779
4.115
ILE788
3.951
MET804
3.310
GLU805
3.309
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| Ligand Name: Ret-IN-3 | Ligand Info | |||||
| Structure Description | Crystal structure of partially phosphorylated RET V804M tyrosine kinase domain complexed with PDD00018412 | PDB:6I82 | ||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | Yes | [1] |
| PDB Sequence |
GPLSLSVDAF
709 KILEDPKWEF719 PRKNLVLGKT729 LGEGEFGKVV739 KATAFHLKGR749 AGYTTVAVKM 759 LKENASPSEL769 RDLLSEFNVL779 KQVNHPHVIK789 LYGACSQDGP799 LLLIMEYAKY 809 GSLRGFLRES819 ERALTMGDLI852 SFAWQISQGM862 QYLAEMKLVH872 RDLAARNILV 882 AEGRKMKISD892 FGLSRDVYQG911 RIPVKWMAIE921 SLFDHITTQS932 DVWSFGVLLW 942 EIVTLGGNPY952 PGIPPERLFN962 LLKTGHRMER972 PDNCSEEMYR982 LMLQCWKQEP 992 DKRPVFADIS1002 KDLEKMMVKR1012
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .H6W or .H6W2 or .H6W3 or :3H6W;style chemicals stick;color identity;select .A:730 or .A:731 or .A:735 or .A:738 or .A:756 or .A:758 or .A:788 or .A:804 or .A:805 or .A:806 or .A:807 or .A:810 or .A:811 or .A:878 or .A:879 or .A:881 or .A:891 or .A:892; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery and Optimization of wt-RET/KDR-Selective Inhibitors of RET(V804M) Kinase. ACS Med Chem Lett. 2020 Feb 28;11(4):497-505. | ||||
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