Binding Site Information of Target
Target General Information | Top | ||||
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Target ID | T71907 | Target Info | |||
Target Name | Survival motor neuron protein (SMN1) | ||||
Synonyms | SMNT; SMNC; SMN2; SMN; Gemin-1; Component of gems 1 | ||||
Target Type | Successful Target | ||||
Gene Name | SMN1 | ||||
UniProt ID |
Drug Binding Sites of Target | Top | |||||
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Ligand Name: N,N-dimethylarginine | Ligand Info | |||||
Structure Description | Solution structure of SMN Tudor domain in complex with asymmetrically dimethylated arginine | PDB:4A4G | ||||
Method | Solution NMR | Resolution | N.A. | Mutation | No | [1] |
PDB Sequence |
NTAASLQQWK
93 VGDKCSAIWS103 EDGCIYPATI113 ASIDFKRETC123 VVVYTGYGNR133 EEQNLSDLLS 143 PICE
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Ligand Name: SDMA | Ligand Info | |||||
Structure Description | Solution structure of SMN Tudor domain in complex with symmetrically dimethylated arginine | PDB:4A4E | ||||
Method | Solution NMR | Resolution | N.A. | Mutation | No | [1] |
PDB Sequence |
NTAASLQQWK
93 VGDKCSAIWS103 EDGCIYPATI113 ASIDFKRETC123 VVVYTGYGNR133 EEQNLSDLLS 143 PICE
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Ligand Name: 4-methyl-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine | Ligand Info | |||||
Structure Description | Crystal Structure of tudor domain of SMN1 in complex with a small organic molecule | PDB:4QQ6 | ||||
Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | No | [2] |
PDB Sequence |
QQWKVGDKCS
99 AIWSEDGCIY109 PATIASIDFK119 RETCVVVYTG129 YGNREEQNLS139 DLLSPICE |
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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 .36X or .36X2 or .36X3 or :336X;style chemicals stick;color identity;select .A:102 or .A:105 or .A:109 or .A:127 or .A:130 or .A:132; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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Ligand Name: 4-(4-fluorobenzyl)-2,3,4,5,6,7-hexahydrodicyclopenta[b,e]pyridin-8(1H)-imine | Ligand Info | |||||
Structure Description | Tudor domain of SMN in complex with a small molecule | PDB:7W2P | ||||
Method | X-ray diffraction | Resolution | 1.15 Å | Mutation | No | [2] |
PDB Sequence |
NTAASLQQWK
93 VGDKCSAIWS103 EDGCIYPATI113 ASIDFKRETC123 VVVYTGYGNR133 EEQNLSDLLS 143 PICE
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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 .8AI or .8AI2 or .8AI3 or :38AI;style chemicals stick;color identity;select .A:102 or .A:105 or .A:107 or .A:109 or .A:127 or .A:130 or .A:132; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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Ligand Name: 1,2-dimethylquinolin-4-imine | Ligand Info | |||||
Structure Description | Tudor domain of SMN in complex with a small molecule | PDB:7W30 | ||||
Method | X-ray diffraction | Resolution | 1.80 Å | Mutation | No | [2] |
PDB Sequence |
SLQQWKVGDK
97 CSAIWSEDGC107 IYPATIASID117 FKRETCVVVY127 TGYGNREEQN137 LSDLLSPICE 147
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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 .8AT or .8AT2 or .8AT3 or :38AT;style chemicals stick;color identity;select .A:90 or .A:102 or .A:105 or .A:109 or .A:127 or .A:130 or .A:132 or .A:143; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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References | Top | ||||
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REF 1 | Structural basis for dimethylarginine recognition by the Tudor domains of human SMN and SPF30 proteins. Nat Struct Mol Biol. 2011 Nov 20;18(12):1414-20. | ||||
REF 2 | A small molecule antagonist of SMN disrupts the interaction between SMN and RNAP II. Nat Commun. 2022 Sep 16;13(1):5453. |
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