Molecular Target Synopsis
Overview
Domains and Structures
Drugs and Clinical Candidates
Druggability
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Ligand Efficiency Plot
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Interaction Network
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Gene Copy Number Variation
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MSH2 (P43246) - Druggability - Molecular Target Synopsis

Chain-based assessment (last updated 02/07/2019)
Domain-based assessment (last updated 30/07/2012)


Structural Druggability Help: Help

Chain-based assessment (last updated 02/07/2019)


Chains assessed9
Chains with at least one site assessed as druggable using the strict criteria6
Chains with at least one site assessed as druggable using the relaxed criteria9


		
PDB Chain Protein Name Druggable Relaxed Druggable Strict Details
3THX_A DNA mismatch repair protein Msh2 Yes Yes show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.04 70 73.7 Yes Yes
2 empty 2.06 65.7 44.8 No No
3 bound 2.47 69.6 53.5 No No
4 empty 2.41 69.9 33.7 No No
5 empty 1.9 65.1 31.3 No No
6 empty 1.64 67.2 30.4 No No
7 empty 2.22 67.2 37.2 No No
8 empty 2.07 65 22 No No
9 empty 2.28 63.8 22.6 No No
10 empty 1.11 60.8 20.3 No No
2O8C_A DNA mismatch repair protein Msh2 Yes Yes show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 bound 2.17 67.7 82.4 Yes Yes
2 empty 2.12 73.6 43.9 No No
3 empty 2.07 57.6 31.5 No No
4 empty 2.42 64.2 24.5 No No
5 empty 2.16 63.1 29.5 No No
6 empty 2.25 61.4 24.7 No No
7 empty 2.41 66.2 24.1 No No
8 empty 1.46 56 18.9 No No
9 empty 2.33 60.5 22.2 No No
10 empty 2.02 57.6 20.8 No No
2O8D_A DNA mismatch repair protein Msh2 Yes Yes show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 bound 1.94 68.9 83.5 Yes Yes
2 empty 2 63.1 27.6 No No
3 empty 2.06 74.5 23.7 No No
4 empty 2.12 58.1 33.4 No No
5 empty 2.1 63.3 27.2 No No
6 empty 2.38 64.2 20 No No
7 empty 2.19 67.9 27.5 No No
8 empty 1.55 53.1 18.3 No No
9 empty 2.34 65.4 25.4 No No
10 empty 2.5 60.9 24.3 No No
3THW_A DNA mismatch repair protein Msh2 Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.02 64.1 43.4 Yes No
2 bound 2.1 67.1 35.8 No No
3 empty 2.04 75.6 26.9 No No
4 empty 2.5 62.5 31.4 No No
5 bound 2.27 65.2 31.4 No No
6 empty 2.13 58.4 28.1 No No
7 empty 2.07 62.5 28.5 No No
8 empty 2.22 69.6 17.2 No No
9 empty 2.12 64.4 19.6 No No
10 empty 1.2 58.5 20 No No
2O8E_A DNA mismatch repair protein Msh2 Yes Yes show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 bound 2.37 69.6 111.2 Yes Yes
2 empty 2.29 69.6 22.8 No No
3 empty 1.84 82.8 19.6 No No
4 empty 2.22 63.5 18.1 No No
5 empty 2.01 66.2 17.2 No No
6 empty 2.18 68.2 18.1 No No
7 empty 2.48 67.7 13 No No
8 empty 2.26 69.3 17 No No
9 empty 1.88 58.9 21.4 No No
10 empty 2.67 63.9 19 No No
2O8B_A DNA mismatch repair protein Msh2 Yes Yes show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.17 68.8 65.8 Yes Yes
2 bound 2.38 66.1 39.7 No No
3 empty 2.46 66.3 30.6 No No
4 empty 2.1 80.8 22.6 No No
5 empty 2.16 60.1 33.5 No No
6 empty 2.46 66 19.2 No No
7 empty 2.27 65.8 25 No No
8 empty 1.66 60 17.7 No No
9 empty 1.84 58.8 23.5 No No
10 empty 2.32 61.9 25 No No
2O8F_A DNA mismatch repair protein Msh2 Yes Yes show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.22 72 66.6 Yes Yes
2 bound 2.1 66.9 57.6 No No
3 empty 2.58 65 27.9 No No
4 empty 2.31 68.4 31.9 No No
5 empty 2.2 68.2 19.2 No No
6 empty 2.54 67.1 19.5 No No
7 empty 2.41 65.3 24.1 No No
8 empty 2.31 67.2 19.2 No No
9 empty 2.19 63.2 19 No No
10 empty 2.56 61 24 No No
3THY_A DNA mismatch repair protein Msh2 Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 1.81 63.3 37 Yes No
2 empty 2.19 66.2 32.1 No No
3 empty 2.47 63.1 31.7 No No
4 bound 2.09 61.3 31.3 No No
5 empty 1.91 73.4 19.7 No No
6 empty 2.1 62.1 24.6 No No
7 empty 1.8 61.3 20.7 No No
8 empty 2.14 64.6 28.1 No No
9 empty 2.05 57.2 22.6 No No
10 empty 1.92 59.3 20.2 No No
3THZ_A DNA mismatch repair protein Msh2 Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 1.97 65.9 34.3 Yes No
2 empty 2.01 66.8 27 No No
3 empty 2.06 62.8 33.1 No No
4 empty 2.01 77.5 26.4 No No
5 bound 2.31 66.4 30.2 No No
6 empty 2.37 67.7 26.3 No No
7 empty 2.16 60.9 31.5 No No
8 empty 1.98 58.8 18.9 No No
9 empty 1.19 60.1 20.4 No No
10 empty 1.91 63.9 15.1 No No

Domain-based assessment (last updated 30/07/2012)


Domains assessed20
Domains assessed as druggable using the strict criteria5
Domains assessed as druggable using the relaxed criteria19

PDB (Domain) Protein Name Domain Resolution Ligands Druggable Relaxed Druggable Strict
2O8B_A (3160213) DNA mismatch repair protein Msh2 PFAM, PFAM, PFAM MutS_I 2.75Å Yes No
2O8B_A (3160214) DNA mismatch repair protein Msh2 PFAM, PFAM, PFAM MutS_II 2.75Å Yes Yes
2O8B_A (3160216) DNA mismatch repair protein Msh2 DNA repair protein MutS domain III, DNA repair protein MutS domain III, UNMATCHED 2.75Å Yes No
2O8B_A (3160217) DNA mismatch repair protein Msh2 P-loop containing nucleoside triphosphate hydrolases, P-loop containing nucleoside triphosphate hydrolases, UNMATCHED 2.75Å Yes Yes
2O8C_A (3160226) DNA mismatch repair protein Msh2 PFAM, PFAM, PFAM MutS_I 3.37Å Yes No
2O8C_A (3160227) DNA mismatch repair protein Msh2 PFAM, PFAM, PFAM MutS_II 3.37Å Yes Yes
2O8C_A (3160229) DNA mismatch repair protein Msh2 DNA repair protein MutS domain III, DNA repair protein MutS domain III, UNMATCHED 3.37Å Yes No
2O8C_A (3160230) DNA mismatch repair protein Msh2 P-loop containing nucleoside triphosphate hydrolases, P-loop containing nucleoside triphosphate hydrolases, UNMATCHED 3.37Å Yes No
2O8D_A (3160239) DNA mismatch repair protein Msh2 PFAM, PFAM, PFAM MutS_I 3Å Yes No
2O8D_A (3160240) DNA mismatch repair protein Msh2 PFAM, PFAM, PFAM MutS_II 3Å Yes No
2O8D_A (3160243) DNA mismatch repair protein Msh2 P-loop containing nucleoside triphosphate hydrolases, P-loop containing nucleoside triphosphate hydrolases, UNMATCHED 3Å Yes No
2O8D_A (3160242) DNA mismatch repair protein Msh2 DNA repair protein MutS domain III, DNA repair protein MutS domain III, UNMATCHED 3Å Yes No
2O8E_A (3160252) DNA mismatch repair protein Msh2 PFAM, PFAM, PFAM MutS_I 3.3Å No No
2O8E_A (3160253) DNA mismatch repair protein Msh2 PFAM, PFAM, PFAM MutS_II 3.3Å Yes Yes
2O8E_A (3160255) DNA mismatch repair protein Msh2 DNA repair protein MutS domain III, DNA repair protein MutS domain III, UNMATCHED 3.3Å Yes No
2O8E_A (3160256) DNA mismatch repair protein Msh2 P-loop containing nucleoside triphosphate hydrolases, P-loop containing nucleoside triphosphate hydrolases, UNMATCHED 3.3Å Yes No
2O8F_A (3160265) DNA mismatch repair protein Msh2 PFAM, PFAM, PFAM MutS_I 3.25Å Yes No
2O8F_A (3160268) DNA mismatch repair protein Msh2 DNA repair protein MutS domain III, DNA repair protein MutS domain III, UNMATCHED 3.25Å Yes No
2O8F_A (3160266) DNA mismatch repair protein Msh2 PFAM, PFAM, PFAM MutS_II 3.25Å Yes Yes
2O8F_A (3160269) DNA mismatch repair protein Msh2 P-loop containing nucleoside triphosphate hydrolases, P-loop containing nucleoside triphosphate hydrolases, UNMATCHED 3.25Å Yes No
Ligand-based Druggability Score: -1.3
Ligand-based Druggability Score Percentile: 65%
Ligand-based Druggability Help: Help




		
Number of proteins in the network : 13346


MSH2 is involved in 28 interactions in the network.


Druggability
Overall Druggability Percentile: 73.89
Druggability for Cancer Therapeutics: 91.64
Druggability for Other Therapeutics: 43.97
Cancer-Associated
Cancer-associated percentile : 98.49
Network Articulation Point
Is MSH2 critical for communication in the network?


Detailed Graph Legend:Help