Molecular Target Synopsis
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doxB (P0A111) - Druggability - Molecular Target Synopsis

Chain-based assessment (last updated 07/05/2019)
Domain-based assessment (last updated 30/07/2012)


Structural Druggability Help: Help

Chain-based assessment (last updated 07/05/2019)


Chains assessed17
Chains with at least one site assessed as druggable using the strict criteria1
Chains with at least one site assessed as druggable using the relaxed criteria16


		
PDB Chain Protein Name Druggable Relaxed Druggable Strict Details
2HMO_A Naphthalene 1,2-dioxygenase system, large oxygenase component Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.15 67.2 27.2 Yes No
2 empty 2.23 67.7 21.6 No No
3 bound 2.14 65.2 24.4 No No
4 bound 1.94 63.9 27.4 No No
5 bound 1.44 93.9 8.3 Yes No
6 empty 2.47 61.7 21.7 No No
7 empty 2.38 62.4 18.2 No No
8 empty 2.15 66.9 15.2 No No
9 empty 2.44 64.2 23.4 No No
10 empty 1.85 72.8 9.8 No No
2HMK_A Naphthalene 1,2-dioxygenase system, large oxygenase component Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.12 64.4 27.9 Yes No
2 empty 2.17 61.7 20.2 No No
3 empty 2.15 68.3 15.5 No No
4 bound 2.27 61.9 20.6 No No
5 bound 1.88 59.7 18.1 No No
6 empty 1.79 69 11.8 No No
7 empty 1.77 57.6 20.3 No No
8 empty 2.04 53.5 21.2 No No
9 bound 2.2 60.3 16.2 No No
10 empty 2.46 59.6 15.2 No No
4HM2_A Naphthalene 1,2-dioxygenase system, large oxygenase component Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.22 68.2 27.3 Yes No
2 empty 2.25 66.5 20.7 No No
3 bound 2.28 64.9 26.9 No No
4 empty 2.06 69.4 19.9 No No
5 empty 1.89 63.2 29.3 No No
6 empty 2.41 62.5 19.3 No No
7 empty 2.42 62.9 22.2 No No
8 empty 2.39 63.5 23.5 No No
9 empty 1.83 71.1 11.3 No No
10 bound 1.15 98 0 Yes No
4HM5_A Naphthalene 1,2-dioxygenase system, large oxygenase component Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.16 69.6 27.3 Yes No
2 empty 2.26 65.9 20.7 No No
3 bound 2.06 64.5 27.7 No No
4 empty 2.13 68.1 20 No No
5 empty 1.88 62.9 27.6 No No
6 empty 2.42 62.4 22.6 No No
7 empty 2.38 63.8 19.1 No No
8 empty 2.37 63.1 22.7 No No
9 empty 1.95 72.1 16.7 No No
10 bound 1.16 98.7 0 Yes No
2HMM_A Naphthalene 1,2-dioxygenase system, large oxygenase component Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.19 63.7 28.1 Yes No
2 empty 2.16 64.5 20.9 No No
3 bound 2.39 61.4 21.1 No No
4 empty 1.8 70.6 11.8 No No
5 bound 1.56 51.5 17.7 No No
6 bound 2.19 54.9 17.1 No No
7 bound 2.12 54.1 20.8 No No
8 bound .99 96.3 0 Yes No
9 empty 1.58 57.2 17 No No
10 empty 2.32 53.5 15.6 No No
4HM1_A Naphthalene 1,2-dioxygenase system, large oxygenase component Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.2 67.6 27.3 Yes No
2 empty 2.31 65.3 20.9 No No
3 bound 2.13 63.5 27.1 No No
4 empty 2.15 66.7 20.2 No No
5 empty 2.01 63.6 33.6 No No
6 empty 2.37 63.1 19.1 No No
7 empty 2.43 61.5 21.9 No No
8 empty 2.37 62.9 23.5 No No
9 empty 1.89 73.3 13.9 No No
10 bound 1.19 97.5 0 Yes No
4HKV_A Naphthalene 1,2-dioxygenase system, large oxygenase component Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.26 67.4 26.7 Yes No
2 empty 2.27 66.1 21.6 No No
3 bound 2.16 65.4 27.4 No No
4 empty 2.12 68.3 19.3 No No
5 bound 1.46 92.3 20.2 Yes No
6 empty 2.41 60.9 22.6 No No
7 empty 2.34 63.6 17.3 No No
8 empty 2.35 63.7 22.6 No No
9 empty 2.15 70.7 14.8 No No
10 empty 2.07 64.5 17.1 No No
4HM8_A Naphthalene 1,2-dioxygenase system, large oxygenase component Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.24 67.2 27.1 Yes No
2 empty 2.22 68.6 21.6 No No
3 bound 2.17 65.1 27.7 No No
4 empty 1.94 63.6 28.5 No No
5 empty 2.2 70.3 15.7 No No
6 empty 2.37 63.5 18 No No
7 empty 2.5 63.4 21.5 No No
8 empty 2.36 63.1 23.5 No No
9 empty 1.92 72.3 9.8 No No
10 bound 1.01 97.9 0 Yes No
4HM7_A Naphthalene 1,2-dioxygenase system, large oxygenase component 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 69.6 27.3 Yes No
2 empty 2.23 67.4 21.3 No No
3 empty 2.21 68.4 17.7 No No
4 empty 1.96 60.5 34.6 No No
5 bound 2.24 66.2 24.8 No No
6 empty 2.37 62.7 18.3 No No
7 empty 2.47 62.7 21.4 No No
8 empty 2.42 62.5 22.6 No No
9 empty 1.88 70.2 13.9 No No
10 bound 1.13 98.7 0 Yes No
4HM6_A Naphthalene 1,2-dioxygenase system, large oxygenase component Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.22 68.2 27.1 Yes No
2 empty 2.25 65.7 20.8 No No
3 empty 2.18 66.9 20.2 No No
4 bound 2.09 65.3 23.4 No No
5 empty 1.94 63.3 34.6 No No
6 empty 2.38 63.7 19.1 No No
7 empty 2.44 62.9 22.2 No No
8 empty 2.36 62.8 23.2 No No
9 empty 1.91 73.3 12 No No
10 bound 1.05 98 0 Yes No
4HM4_A Naphthalene 1,2-dioxygenase system, large oxygenase component Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.15 67 27.3 Yes No
2 empty 2.23 66.9 20.5 No No
3 bound 2.26 64.9 27.6 No No
4 empty 1.91 63.2 28.5 No No
5 empty 2.43 62.1 21.9 No No
6 empty 2.35 62.2 19.1 No No
7 empty 2.38 62.9 22.7 No No
8 empty 2.07 68.2 16.2 No No
9 empty 1.84 69.4 9.7 No No
10 bound 1.06 98.3 0 Yes No
4HM0_A Naphthalene 1,2-dioxygenase system, large oxygenase component No No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.08 62.7 23.9 No No
2 bound 2.18 63.5 27 No No
3 empty 2.19 63.9 20.7 No No
4 empty 2.27 61.3 20.5 No No
5 empty 1.68 69.6 13 No No
6 bound 1.66 55.1 18.2 No No
7 bound 2.17 58.5 21.1 No No
8 empty 2.41 55 16.9 No No
9 empty 1.92 63.1 13.3 No No
10 empty 1.5 57.7 13.2 No No
2HML_A Naphthalene 1,2-dioxygenase system, large oxygenase component Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.12 63.3 27.5 Yes No
2 bound 2.16 65.3 19.7 No No
3 bound 2.35 61.5 21.1 No No
4 empty 1.82 67.8 14.8 No No
5 bound 1.69 54.9 17.9 No No
6 bound 2.09 52.3 20.9 No No
7 bound 1.76 67 13.5 No No
8 empty 2.33 56.8 15.5 No No
9 empty 2.59 60.3 16.7 No No
10 empty 1.62 55.7 12.8 No No
2HMJ_A Naphthalene 1,2-dioxygenase system, large oxygenase component Yes Yes show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 bound 1.48 77.5 27.1 Yes Yes
2 bound 2.26 68 19.1 No No
3 bound 2.16 64.3 24.9 No No
4 empty 2.03 68 21.7 No No
5 empty 2.43 60.2 22.5 No No
6 bound 2.33 64.3 18.1 No No
7 bound 1.89 61.4 24.7 No No
8 empty 2.21 68.9 15.8 No No
9 empty 2.41 62 22.9 No No
10 bound 2.2 57.8 20.3 No No
4HM3_A Naphthalene 1,2-dioxygenase system, large oxygenase component Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.23 68.8 27.1 Yes No
2 empty 2.36 65.2 21.1 No No
3 bound 2.18 64.9 26.3 No No
4 empty 2.11 66.8 19.6 No No
5 empty 1.95 62 34.6 No No
6 empty 2.38 63.3 18.1 No No
7 empty 2.46 62.6 21.2 No No
8 empty 2.34 62.5 23.3 No No
9 empty 1.95 71.8 16.6 No No
10 bound 1.18 97.6 0 Yes No
2HMN_A Naphthalene 1,2-dioxygenase system, large oxygenase component 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 27.7 Yes No
2 bound 2.18 63 20.1 No No
3 bound 2.4 60.4 21.4 No No
4 bound 1.05 96.4 0 Yes No
5 bound 1.71 56.7 18.2 No No
6 empty 1.88 71 10.9 No No
7 empty 2.17 54 21.1 No No
8 empty 2.32 54 15.5 No No
9 empty 2.24 64.9 12.2 No No
10 empty 1.6 54.3 16 No No
4HJL_A Naphthalene 1,2-dioxygenase system, large oxygenase component Yes No show/hide
Site num Site Status Pickpocket Polar Ratio Surfnet Gap Vertices Buried Surfnet Long Axis Druggable Relaxed Druggable Strict
1 empty 2.2 67.1 27.4 Yes No
2 empty 2.3 66.6 21.3 No No
3 bound 2.09 64.6 25.4 No No
4 empty 2.18 68.5 20 No No
5 empty 2.09 61.8 31.9 No No
6 bound 1.44 91.7 20.3 Yes No
7 empty 2.45 61.8 21.4 No No
8 empty 2.38 64.3 18.3 No No
9 empty 2.35 63.1 23.7 No No
10 empty 2.07 70 17.1 No No

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


Domains assessed12
Domains assessed as druggable using the strict criteria1
Domains assessed as druggable using the relaxed criteria9

PDB (Domain) Protein Name Domain Resolution Ligands Druggable Relaxed Druggable Strict
2HMJ_A (136585) Naphthalene 1,2-dioxygenase system, large oxygenase component ISP domain, ISP domain, Ring hydroxylating alpha subunit ISP domain 1.5Å Yes No
2HMJ_A (136586) Naphthalene 1,2-dioxygenase system, large oxygenase component TBP-like, Bet v1-like, Ring hydroxylating alpha subunit catalytic domain 1.5Å Yes No
2HMK_A (136588) Naphthalene 1,2-dioxygenase system, large oxygenase component ISP domain, ISP domain, Ring hydroxylating alpha subunit ISP domain 1.65Å Yes No
2HMK_A (136589) Naphthalene 1,2-dioxygenase system, large oxygenase component TBP-like, Bet v1-like, Ring hydroxylating alpha subunit catalytic domain 1.65Å No No
2HML_A (136591) Naphthalene 1,2-dioxygenase system, large oxygenase component ISP domain, ISP domain, Ring hydroxylating alpha subunit ISP domain 1.8Å Yes No
2HML_A (136592) Naphthalene 1,2-dioxygenase system, large oxygenase component TBP-like, Bet v1-like, Ring hydroxylating alpha subunit catalytic domain 1.8Å No No
2HMM_A (136594) Naphthalene 1,2-dioxygenase system, large oxygenase component ISP domain, ISP domain, Ring hydroxylating alpha subunit ISP domain 1.6Å Yes No
2HMM_A (136595) Naphthalene 1,2-dioxygenase system, large oxygenase component TBP-like, Bet v1-like, Ring hydroxylating alpha subunit catalytic domain 1.6Å Yes Yes
2HMN_A (136597) Naphthalene 1,2-dioxygenase system, large oxygenase component ISP domain, ISP domain, Ring hydroxylating alpha subunit ISP domain 1.7Å Yes No
2HMN_A (136598) Naphthalene 1,2-dioxygenase system, large oxygenase component TBP-like, Bet v1-like, Ring hydroxylating alpha subunit catalytic domain 1.7Å Yes No
2HMO_A (136600) Naphthalene 1,2-dioxygenase system, large oxygenase component ISP domain, ISP domain, Ring hydroxylating alpha subunit ISP domain 1.6Å Yes No
2HMO_A (136601) Naphthalene 1,2-dioxygenase system, large oxygenase component TBP-like, Bet v1-like, Ring hydroxylating alpha subunit catalytic domain 1.6Å No No
Ligand-based Druggability Score:
Ligand-based Druggability Score Percentile: %
Ligand-based Druggability Help: Help




		
This protein has no network-based druggability score