Molecular Target Synopsis
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Tpk1 (Q9R0M5) - 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 assessed4
Chains with at least one site assessed as druggable using the strict criteria4
Chains with at least one site assessed as druggable using the relaxed criteria4


		
PDB Chain Protein Name Druggable Relaxed Druggable Strict Details
2F17_B Thiamin pyrophosphokinase 1 Yes Yes show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 bound 2.34 71.2 23.4 Yes Yes
2 empty 1.82 69.5 22.5 No No
3 empty 1.63 66.3 22.7 No No
4 empty 1.97 64.9 14.3 No No
5 empty 1.98 69.6 12.1 No No
6 empty 2.34 58.3 17.7 No No
7 empty 2.17 64.4 8.7 No No
8 empty 2.17 58.4 14.4 No No
9 empty 2.19 64.9 14.9 No No
10 empty 2.32 61.3 9.4 No No
2F17_A Thiamin pyrophosphokinase 1 Yes Yes show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 bound 2.52 76.8 24 Yes Yes
2 empty 1.96 64.2 30.3 No No
3 bound 1.96 75 21.9 No No
4 empty 1.74 65.2 15.1 No No
5 empty 2.29 67 11.7 No No
6 empty 1.96 60.8 14.5 No No
7 empty 2.3 64.6 19.2 No No
8 empty 2.25 66.8 11.1 No No
9 empty 2.03 73.9 8.5 No No
10 empty 2.19 47.5 14.2 No No
1IG3_B Thiamin pyrophosphokinase 1 Yes Yes show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 bound 2.32 68.3 23.7 Yes Yes
2 empty 1.18 60 19.6 No No
3 empty 1.57 75.6 14.6 No No
4 empty 1.93 63.8 17.7 No No
5 empty 2.2 56.8 13.1 No No
6 empty 1.97 63 11.8 No No
7 empty 1.95 49.1 12.7 No No
8 empty 2.4 56.8 12.9 No No
9 empty 2.11 63.9 11.8 No No
10 bound 1.99 60.8 10 No No
1IG3_A Thiamin pyrophosphokinase 1 Yes Yes show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 bound 2.44 66.2 23.5 Yes Yes
2 empty 1.23 60.3 18.9 No No
3 empty 1.64 75.1 13.9 No No
4 empty 1.82 60 14.3 No No
5 empty 2.01 60.7 12.7 No No
6 empty 2.13 62.1 11 No No
7 empty 1.89 53.5 12 No No
8 empty 2.35 55.8 10.7 No No
9 empty 1.83 70.9 9.8 No No
10 bound 1.85 59.4 12.4 No No

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


Domains assessed11
Domains assessed as druggable using the strict criteria8
Domains assessed as druggable using the relaxed criteria6

PDB (Domain) Protein Name Domain Resolution Ligands Druggable Relaxed Druggable Strict
1IG3_A (62358) Thiamin pyrophosphokinase 1 Double-stranded beta-helix, Thiamin pyrophosphokinase substrate-binding domain, Thiamin pyrophosphokinase substrate-binding domain 1.9Å No No
1IG3_A (4162490) Thiamin pyrophosphokinase 1 Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain (Homo Multimer) 1.9Å Yes Yes
1IG3_B (62360) Thiamin pyrophosphokinase 1 Double-stranded beta-helix, Thiamin pyrophosphokinase substrate-binding domain, Thiamin pyrophosphokinase substrate-binding domain 1.9Å No No
1IG3_B (62361) Thiamin pyrophosphokinase 1 Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain 1.9Å No Yes
1IG3_A (62359) Thiamin pyrophosphokinase 1 Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain 1.9Å No Yes
1IG3_B (4162490) Thiamin pyrophosphokinase 1 Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain (Homo Multimer) 1.9Å Yes Yes
1IG3_A (4045170) Thiamin pyrophosphokinase 1 Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain (Homo Multimer) 1.9Å Yes Yes
1IG3_B (4045170) Thiamin pyrophosphokinase 1 Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain (Homo Multimer) 1.9Å Yes Yes
1IG3_B (4003490) Thiamin pyrophosphokinase 1 Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain (Homo Multimer) 1.9Å Yes Yes
1IG3_A (4003490) Thiamin pyrophosphokinase 1 Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain (Homo Multimer) 1.9Å Yes Yes
2F17_A (4221318) Thiamin pyrophosphokinase 1 Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain (Homo Multimer) 2.5Å Yes Yes
2F17_B (4221318) Thiamin pyrophosphokinase 1 Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain (Homo Multimer) 2.5Å Yes Yes
2F17_A (4135029) Thiamin pyrophosphokinase 1 Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain (Homo Multimer) 2.5Å Yes Yes
2F17_B (4135029) Thiamin pyrophosphokinase 1 Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain (Homo Multimer) 2.5Å Yes Yes
2F17_A (132718) Thiamin pyrophosphokinase 1 Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain, Thiamin pyrophosphokinase catalytic domain 2.5Å Yes Yes
2F17_A (132717) Thiamin pyrophosphokinase 1 Double-stranded beta-helix, Thiamin pyrophosphokinase substrate-binding domain, Thiamin pyrophosphokinase substrate-binding domain 2.5Å No No
Ligand-based Druggability Score:
Ligand-based Druggability Score Percentile: %
Ligand-based Druggability Help: Help




		
This protein has no network-based druggability score