Molecular Target Synopsis
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pdhB (P21874) - Druggability - Molecular Target Synopsis

Chain-based assessment (last updated 08/10/2019)
Domain-based assessment (last updated 30/07/2012)


Structural Druggability Help: Help

Chain-based assessment (last updated 08/10/2019)


Chains assessed20
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 criteria20


		
PDB Chain Protein Name Druggable Relaxed Druggable Strict Details
3DV0_B Pyruvate dehydrogenase E1 component subunit beta Yes Yes show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 1.98 68.1 35.9 Yes Yes
2 empty 2.24 69.9 37.3 No No
3 empty 2.34 66.9 15.8 No No
4 empty 2.02 70.5 15.7 No No
5 empty 1.99 61.5 17.7 No No
6 empty 2.79 70.7 9.4 No No
7 empty 2.38 73.6 12.6 No No
8 empty 1.79 60.3 11.6 No No
9 bound 1.96 61.6 15.4 No No
10 empty 2.14 62.8 8.9 No No
1W88_D Pyruvate dehydrogenase E1 component subunit beta Yes Yes show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 1.89 68.5 35.8 Yes Yes
2 empty 2.16 70 20.2 No No
3 empty 2.5 65.5 20.3 No No
4 empty 2.48 63.8 15.3 No No
5 empty 2.87 65.6 18.1 No No
6 empty 2.16 74 13.8 No No
7 empty 1.67 73.8 13.6 No No
8 empty 2 63 11.7 No No
9 empty 1.65 62.2 11.3 No No
10 empty 2.37 58.8 15.7 No No
1W85_F Pyruvate dehydrogenase E1 component subunit beta Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.34 71 40.1 Yes No
2 empty 2.29 68.9 29.4 No No
3 empty 1.98 68 24.1 No No
4 empty 2.35 62.9 21.1 No No
5 empty 2.04 62.2 12.1 No No
6 empty 1.92 53.3 16.4 No No
7 empty 2.64 65.7 12.3 No No
8 empty 2.06 55.2 11.5 No No
9 empty 2 55.7 10.5 No No
10 empty 2.42 73.8 8.3 No No
3DVA_D Pyruvate dehydrogenase E1 component subunit beta Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.18 69.6 36 Yes No
2 empty 2.2 72.1 16.3 No No
3 empty 2.32 69.8 20.6 No No
4 empty 1.84 69.4 24 No No
5 empty 2.58 66.4 18.8 No No
6 empty 2.78 64.1 20.9 No No
7 empty 1.87 79.2 10.5 No No
8 empty 2.64 60.8 12.4 No No
9 empty 2.15 66.6 13.4 No No
10 empty 1.99 63.3 11.7 No No
3DUF_D Pyruvate dehydrogenase E1 component subunit beta Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.1 71.3 29.5 Yes No
2 empty 2.42 65.8 32.3 No No
3 empty 2.31 72.5 29.5 No No
4 empty 1.88 64.6 28.6 No No
5 empty 2.31 62.2 14.4 No No
6 empty 2.1 74.7 15.1 No No
7 empty 2.05 63.7 12.7 No No
8 empty 1.66 64.9 10.9 No No
9 empty 2.12 55.7 11.6 No No
10 empty 2.7 62.7 12.8 No No
3DUF_H Pyruvate dehydrogenase E1 component subunit beta Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.29 62.1 36.2 Yes No
2 empty 2.16 68.6 28.7 No No
3 empty 2.21 67.7 22.5 No No
4 empty 2.48 68.4 18.5 No No
5 empty 1.82 68.4 23.8 No No
6 empty 1.62 71.9 16.9 No No
7 empty 1.68 66.5 11.3 No No
8 empty 2.7 66.7 11.6 No No
9 empty 2.2 61.9 11.3 No No
10 empty 2.19 67.1 11.1 No No
1W88_F Pyruvate dehydrogenase E1 component subunit beta Yes Yes show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 1.81 80.2 21.3 Yes Yes
2 empty 2.32 67.8 31.4 No No
3 empty 2.28 70.4 23.9 No No
4 empty 2.39 64.2 28.5 No No
5 empty 1.85 69.5 25 No No
6 empty 2.37 65.6 14.3 No No
7 empty 2.73 67.9 17.1 No No
8 empty 2.16 68 14.7 No No
9 empty 1.63 64.7 12.5 No No
10 empty 2.41 64.4 11.2 No No
3DUF_F Pyruvate dehydrogenase E1 component subunit beta Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.32 71.2 41.5 Yes No
2 empty 2.28 67.3 29.9 No No
3 empty 2.48 63.5 28.1 No No
4 empty 1.85 68.7 17.6 No No
5 empty 2.1 65.9 18.1 No No
6 empty 1.79 75.2 12.7 No No
7 empty 2.73 65.7 15.8 No No
8 empty 2.23 61.8 9.6 No No
9 empty 1.18 64.8 7.7 No No
10 empty 2.49 64.7 8.9 No No
3DVA_H Pyruvate dehydrogenase E1 component subunit beta Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.03 67.1 29.9 Yes No
2 empty 2.13 69.4 20.2 No No
3 empty 2.5 65.5 29 No No
4 empty 1.84 69.6 24.3 No No
5 empty 2.4 66.7 14.4 No No
6 empty 2.18 64.3 13.2 No No
7 empty 2.09 70.5 15.3 No No
8 empty 1.55 69.6 14.2 No No
9 empty 2.96 69.4 15.8 No No
10 empty 2.1 64 15.9 No No
1W85_D Pyruvate dehydrogenase E1 component subunit beta Yes Yes show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.03 68.7 36.5 Yes Yes
2 empty 2.34 74.8 29.5 No No
3 empty 2.36 64.1 25.3 No No
4 empty 2.45 68.8 21.5 No No
5 empty 2.39 64.5 12 No No
6 empty 2.78 67.9 14.3 No No
7 empty 1.67 67 11.7 No No
8 empty 2.07 57.1 10.7 No No
9 empty 2.48 56.5 10.3 No No
10 empty 2.44 65.8 8.2 No No
3DV0_F Pyruvate dehydrogenase E1 component subunit beta Yes Yes show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.01 67.9 39.8 Yes Yes
2 empty 2.42 69.1 40.6 No No
3 empty 2.32 65.2 21.9 No No
4 empty 1.84 66.2 16 No No
5 empty 1.96 54.2 11.6 No No
6 empty 2.09 60.1 13.5 No No
7 empty 2.62 58.2 12 No No
8 empty 2.46 58.6 9.4 No No
9 empty 2.07 60.7 14 No No
10 empty 2.39 64.5 7.3 No No
1W85_H Pyruvate dehydrogenase E1 component subunit beta Yes Yes show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.03 68.3 29.8 Yes Yes
2 empty 2.25 70.6 19.3 No No
3 empty 2.4 69.6 23.5 No No
4 empty 2.48 66.8 16.4 No No
5 empty 1.9 70.7 23.4 No No
6 empty 2.21 64.7 11.6 No No
7 empty 2.93 70.8 11.9 No No
8 empty 1.87 77.6 11.3 No No
9 empty 2.06 60.3 10.2 No No
10 empty 2.54 61.4 10.5 No No
1W88_B Pyruvate dehydrogenase E1 component subunit beta Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.06 69.1 26.4 Yes No
2 empty 2.19 68.6 30.8 No No
3 empty 1.88 72.9 24.9 No No
4 empty 2.39 63.4 15.6 No No
5 empty 2.38 63.6 19.6 No No
6 empty 2.22 74.3 17.3 No No
7 empty 1.87 62.7 17 No No
8 empty 2.71 69.1 14.5 No No
9 empty 1.9 59.6 11.1 No No
10 empty 1.69 68.3 11 No No
3DVA_F Pyruvate dehydrogenase E1 component subunit beta Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.38 68.8 32.8 Yes No
2 empty 2.21 69 33.5 No No
3 empty 2.4 64.7 27.1 No No
4 empty 1.78 69.7 17.8 No No
5 empty 2.07 63.5 20.7 No No
6 empty 1.64 75.4 12.7 No No
7 empty 2.74 64.4 17.8 No No
8 empty 2.17 65.8 10.5 No No
9 empty 2.31 62.4 10 No No
10 empty 2.28 66.5 8.1 No No
1W88_H Pyruvate dehydrogenase E1 component subunit beta Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.17 62.8 33.6 Yes No
2 empty 2.2 68.7 30 No No
3 empty 1.9 66.5 21.6 No No
4 empty 2.52 66.4 15.2 No No
5 empty 2.44 68.5 16.6 No No
6 empty 2.2 68.4 15.4 No No
7 empty 2.76 69.8 14.3 No No
8 empty 1.64 64.5 10.7 No No
9 empty 2.5 66.3 13.1 No No
10 empty 2.03 54.4 9.3 No No
1W85_B Pyruvate dehydrogenase E1 component subunit beta Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.13 65.7 31.8 Yes No
2 empty 2.03 67.5 25.3 No No
3 empty 1.87 66.8 24.5 No No
4 empty 2.27 64 23.7 No No
5 empty 2.14 72.8 15.9 No No
6 empty 1.86 62.1 19.3 No No
7 empty 2.73 69 14 No No
8 empty 2.08 56.6 18.9 No No
9 empty 1.93 74.8 11.4 No No
10 empty 2.02 59.1 14.2 No No
3DVA_B Pyruvate dehydrogenase E1 component subunit beta Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.28 66.6 31.9 Yes No
2 empty 2.11 68 29.2 No No
3 empty 2.37 67.8 25.5 No No
4 empty 1.88 66.2 21.1 No No
5 empty 2.91 70.2 12.2 No No
6 empty 2.38 64.1 12.7 No No
7 empty 1.98 64.5 9.3 No No
8 empty 2.26 56.5 11.8 No No
9 empty 1.91 80.4 9.4 No No
10 empty 1.95 70.9 10.9 No No
3DV0_H Pyruvate dehydrogenase E1 component subunit beta Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.37 67.7 33.2 Yes No
2 empty 2.25 67.2 28.7 No No
3 empty 2.69 66.3 30.9 No No
4 empty 1.91 68.5 24.6 No No
5 empty 2.29 63.7 17.2 No No
6 empty 1.69 70.7 15.8 No No
7 empty 1.83 65.2 10.2 No No
8 empty 2.59 65.4 11.5 No No
9 empty 1.64 59.6 10.3 No No
10 empty 1.84 57.3 9.6 No No
3DV0_D Pyruvate dehydrogenase E1 component subunit beta Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.28 68.8 34.4 Yes No
2 empty 2.06 69 24.9 No No
3 empty 2.58 65 28.2 No No
4 empty 1.86 64.2 24.7 No No
5 empty 1.97 66 9.9 No No
6 empty 2.05 69.9 15.2 No No
7 empty 2.91 66.7 15.3 No No
8 empty 1.91 78.4 11 No No
9 empty 1.62 62.8 10.6 No No
10 empty 2.06 59.9 10.7 No No
3DUF_B Pyruvate dehydrogenase E1 component subunit beta Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.25 70.5 39 Yes No
2 empty 2.12 67.1 30.4 No No
3 empty 1.86 65.1 30.1 No No
4 empty 2.29 66 14.4 No No
5 empty 2.08 69.4 15.3 No No
6 empty 2.75 72 15.9 No No
7 empty 2.03 66.8 10.5 No No
8 empty 1.89 63.8 11.7 No No
9 empty 1.89 62.2 15.6 No No
10 empty 2.57 61.4 12.4 No No

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


Domains assessed22
Domains assessed as druggable using the strict criteria1
Domains assessed as druggable using the relaxed criteria13

PDB (Domain) Protein Name Domain Resolution Ligands Druggable Relaxed Druggable Strict
1W85_B (114337) Pyruvate dehydrogenase E1 component subunit beta TK C-terminal domain-like, TK C-terminal domain-like, Branched-chain alpha-keto acid dehydrogenase beta-subunit C-terminal-domain 2Å Yes No
1W85_B (114336) Pyruvate dehydrogenase E1 component subunit beta Thiamin diphosphate-binding fold (THDP-binding), Thiamin diphosphate-binding fold (THDP-binding), Branched-chain alpha-keto acid dehydrogenase Pyr module 2Å No No
1W85_D (114339) Pyruvate dehydrogenase E1 component subunit beta Thiamin diphosphate-binding fold (THDP-binding), Thiamin diphosphate-binding fold (THDP-binding), Branched-chain alpha-keto acid dehydrogenase Pyr module 2Å Yes No
1W85_D (114340) Pyruvate dehydrogenase E1 component subunit beta TK C-terminal domain-like, TK C-terminal domain-like, Branched-chain alpha-keto acid dehydrogenase beta-subunit C-terminal-domain 2Å Yes No
1W85_F (114342) Pyruvate dehydrogenase E1 component subunit beta Thiamin diphosphate-binding fold (THDP-binding), Thiamin diphosphate-binding fold (THDP-binding), Branched-chain alpha-keto acid dehydrogenase Pyr module 2Å No No
1W85_F (114343) Pyruvate dehydrogenase E1 component subunit beta TK C-terminal domain-like, TK C-terminal domain-like, Branched-chain alpha-keto acid dehydrogenase beta-subunit C-terminal-domain 2Å Yes No
1W85_H (114345) Pyruvate dehydrogenase E1 component subunit beta Thiamin diphosphate-binding fold (THDP-binding), Thiamin diphosphate-binding fold (THDP-binding), Branched-chain alpha-keto acid dehydrogenase Pyr module 2Å No No
1W85_H (114346) Pyruvate dehydrogenase E1 component subunit beta TK C-terminal domain-like, TK C-terminal domain-like, Branched-chain alpha-keto acid dehydrogenase beta-subunit C-terminal-domain 2Å Yes No
1W88_B (114351) Pyruvate dehydrogenase E1 component subunit beta TK C-terminal domain-like, TK C-terminal domain-like, Branched-chain alpha-keto acid dehydrogenase beta-subunit C-terminal-domain 2.1Å Yes No
1W88_B (114350) Pyruvate dehydrogenase E1 component subunit beta Thiamin diphosphate-binding fold (THDP-binding), Thiamin diphosphate-binding fold (THDP-binding), Branched-chain alpha-keto acid dehydrogenase Pyr module 2.1Å No No
1W88_D (114353) Pyruvate dehydrogenase E1 component subunit beta Thiamin diphosphate-binding fold (THDP-binding), Thiamin diphosphate-binding fold (THDP-binding), Branched-chain alpha-keto acid dehydrogenase Pyr module 2.1Å No No
1W88_H (114360) Pyruvate dehydrogenase E1 component subunit beta TK C-terminal domain-like, TK C-terminal domain-like, Branched-chain alpha-keto acid dehydrogenase beta-subunit C-terminal-domain 2.1Å Yes No
1W88_H (114359) Pyruvate dehydrogenase E1 component subunit beta Thiamin diphosphate-binding fold (THDP-binding), Thiamin diphosphate-binding fold (THDP-binding), Branched-chain alpha-keto acid dehydrogenase Pyr module 2.1Å No No
1W88_F (114357) Pyruvate dehydrogenase E1 component subunit beta TK C-terminal domain-like, TK C-terminal domain-like, Branched-chain alpha-keto acid dehydrogenase beta-subunit C-terminal-domain 2.1Å Yes No
1W88_F (114356) Pyruvate dehydrogenase E1 component subunit beta Thiamin diphosphate-binding fold (THDP-binding), Thiamin diphosphate-binding fold (THDP-binding), Branched-chain alpha-keto acid dehydrogenase Pyr module 2.1Å Yes Yes
1W88_D (114354) Pyruvate dehydrogenase E1 component subunit beta TK C-terminal domain-like, TK C-terminal domain-like, Branched-chain alpha-keto acid dehydrogenase beta-subunit C-terminal-domain 2.1Å Yes No
3DUF_B (3370157) Pyruvate dehydrogenase E1 component subunit beta TK C-terminal domain-like, TK C-terminal domain-like, Branched-chain alpha-keto acid dehydrogenase beta-subunit C-terminal-domain 2.5Å Yes No
3DUF_B (3370156) Pyruvate dehydrogenase E1 component subunit beta Thiamin diphosphate-binding fold (THDP-binding), Thiamin diphosphate-binding fold (THDP-binding), Branched-chain alpha-keto acid dehydrogenase Pyr module 2.5Å No No
3DV0_B (3370192) Pyruvate dehydrogenase E1 component subunit beta TK C-terminal domain-like, TK C-terminal domain-like, Branched-chain alpha-keto acid dehydrogenase beta-subunit C-terminal-domain 2.5Å Yes No
3DV0_B (3370191) Pyruvate dehydrogenase E1 component subunit beta Thiamin diphosphate-binding fold (THDP-binding), Thiamin diphosphate-binding fold (THDP-binding), Branched-chain alpha-keto acid dehydrogenase Pyr module 2.5Å No No
3DVA_B (3370212) Pyruvate dehydrogenase E1 component subunit beta Thiamin diphosphate-binding fold (THDP-binding), Thiamin diphosphate-binding fold (THDP-binding), Branched-chain alpha-keto acid dehydrogenase Pyr module 2.35Å No No
3DVA_B (3370213) Pyruvate dehydrogenase E1 component subunit beta TK C-terminal domain-like, TK C-terminal domain-like, Branched-chain alpha-keto acid dehydrogenase beta-subunit C-terminal-domain 2.35Å Yes No
Ligand-based Druggability Score:
Ligand-based Druggability Score Percentile: %
Ligand-based Druggability Help: Help




		
This protein has no network-based druggability score