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purB (P0AB89) - Druggability - Molecular Target Synopsis

Chain-based assessment (last updated 10/09/2019)
Domain-based assessment (last updated 30/07/2012)


Structural Druggability Help: Help

Chain-based assessment (last updated 10/09/2019)


Chains assessed5
Chains with at least one site assessed as druggable using the strict criteria0
Chains with at least one site assessed as druggable using the relaxed criteria5


		
PDB Chain Protein Name Druggable Relaxed Druggable Strict Details
2PTS_A Adenylosuccinate lyase Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 1.87 62.5 28.4 Yes No
2 empty 1.96 62.8 34.3 No No
3 empty 1.95 65.3 26.1 No No
4 empty 2.12 68.6 21.9 No No
5 empty 2.18 70 15 No No
6 empty 1.86 59.1 17 No No
7 empty 2.48 68.2 21.8 No No
8 empty 2.1 71.2 11.1 No No
9 empty 2.25 61.1 18.2 No No
10 empty 2.18 59.8 15.6 No No
2PTR_A Adenylosuccinate lyase Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 1.78 64 28.7 Yes No
2 empty 2.05 64 35.5 No No
3 empty 2.45 66.6 30.2 No No
4 empty 1.99 60.4 20.9 No No
5 empty 2.19 66.6 27.6 No No
6 empty 1.98 65.8 26.9 No No
7 empty 2.05 60.4 20.2 No No
8 empty 2.39 70.6 19.8 No No
9 empty 2.41 63.3 18.7 No No
10 empty 2.08 61.7 15.2 No No
2PTQ_B Adenylosuccinate lyase Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 1.89 60.4 28 Yes No
2 empty 1.93 65.2 28.1 No No
3 empty 1.93 64 33.6 No No
4 empty 2.28 67.6 25.2 No No
5 empty 1.85 60.7 19.6 No No
6 bound 2.35 64.2 32.7 No No
7 empty 1.98 67.9 12.7 No No
8 empty 2.18 63.2 18.8 No No
9 empty 2.35 65.6 9.9 No No
10 empty 2.07 65.5 13.1 No No
2PTR_B Adenylosuccinate lyase Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 1.95 63.7 35.2 Yes No
2 empty 1.7 65.1 22.9 No No
3 empty 1.94 64 28.3 No No
4 bound 2.41 67.6 26.2 No No
5 empty 1.99 60.5 20.4 No No
6 bound 2.24 63.5 29.4 No No
7 empty 2.41 65.4 22.6 No No
8 empty 2.22 67.1 16.3 No No
9 empty 1.99 63.9 14.7 No No
10 empty 2.12 62 14.3 No No
2PTQ_A Adenylosuccinate lyase Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 bound 2.15 65.5 39.2 Yes No
2 empty 1.96 65.2 37.1 No No
3 empty 2.03 67.5 20 No No
4 empty 2.34 69 28.6 No No
5 empty 2 58.1 21.3 No No
6 empty 2.03 64.4 16.1 No No
7 empty 2.32 61.6 22 No No
8 empty 2.28 61.1 17.8 No No
9 empty 2.1 66.1 12.1 No No
10 empty 2.08 60.4 15.3 No No

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


Domains assessed9
Domains assessed as druggable using the strict criteria2
Domains assessed as druggable using the relaxed criteria5

PDB (Domain) Protein Name Domain Resolution Ligands Druggable Relaxed Druggable Strict
2PTQ_B (4079543) Adenylosuccinate lyase UNMATCHED, UNMATCHED, UNMATCHED 2PTQ HOMO 2Å Yes Yes
2PTQ_A (4079543) Adenylosuccinate lyase UNMATCHED, UNMATCHED, UNMATCHED 2PTQ HOMO 2Å Yes Yes
2PTQ_A (3180195) Adenylosuccinate lyase UNMATCHED, UNMATCHED, UNMATCHED 2PTQ 2Å No No
2PTQ_A (3180193) Adenylosuccinate lyase UNMATCHED, UNMATCHED, UNMATCHED 2PTQ 2Å No No
2PTQ_A (3180194) Adenylosuccinate lyase L-aspartase-like, L-aspartase-like, UNMATCHED 2Å Yes No
2PTR_A (4210256) Adenylosuccinate lyase UNMATCHED, UNMATCHED, UNMATCHED 2PTR HOMO 1.85Å Yes Yes
2PTR_A (3180197) Adenylosuccinate lyase L-aspartase-like, L-aspartase-like, UNMATCHED 1.85Å Yes No
2PTR_A (3180196) Adenylosuccinate lyase UNMATCHED, UNMATCHED, UNMATCHED 2PTR 1.85Å No No
2PTR_A (3180198) Adenylosuccinate lyase UNMATCHED, UNMATCHED, UNMATCHED 2PTR 1.85Å No No
2PTR_B (4210256) Adenylosuccinate lyase UNMATCHED, UNMATCHED, UNMATCHED 2PTR HOMO 1.85Å Yes Yes
2PTS_A (3180200) Adenylosuccinate lyase L-aspartase-like, L-aspartase-like, UNMATCHED 2Å Yes No
Ligand-based Druggability Score:
Ligand-based Druggability Score Percentile: %
Ligand-based Druggability Help: Help




		
This protein has no network-based druggability score