Code0HK
NameTiotropium
SynonymsTiotropium
Identifiern/a
FormulaC19 H22 N O4 S2
Molecular Weight392.512
SMILESC[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)C(c4cccs4)(c5cccs5)O)C
PubChem
Formal Charge1
Total Atoms48
Total Chiral Atoms4
Total Bonds52
Total Aromatic Bonds10
Networks6
 missing image

This ligand is also present in the following 6 networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
4DAJ A Amine Acetylcholine (muscarinic) M3 Rattus norvegicus Tiotropium - - 3.4 2012-02-22 10.1038/nature10867

A 2D representation of the interactions of 0HK in 4DAJ
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:D147 R:R:S120 10.31 1 No No 9 9 1 2
R:R:S120 R:R:Y533 5.09 1 No Yes 9 9 2 2
R:R:F124 R:R:Y529 11.35 1 Yes Yes 8 7 2 1
R:R:F124 R:R:Y533 8.25 1 Yes Yes 8 9 2 2
R:R:D147 R:R:Y533 6.9 1 No Yes 9 9 1 2
L:L:?1 R:R:D147 4.33 1 Yes No 0 9 0 1
R:R:W199 R:R:Y148 12.54 1 Yes Yes 9 9 1 1
R:R:I222 R:R:Y148 9.67 1 Yes Yes 8 9 2 1
R:R:Y148 R:R:Y529 5.96 1 Yes Yes 9 7 1 1
L:L:?1 R:R:Y148 26.95 1 Yes Yes 0 9 0 1
L:L:?1 R:R:S151 10.55 1 Yes No 0 9 0 1
R:R:N152 R:R:W199 13.56 0 No Yes 9 9 2 1
L:L:?1 R:R:W199 8.73 1 Yes Yes 0 9 0 1
R:R:F239 R:R:Y240 13.41 1 Yes No 9 8 2 2
R:R:F239 R:R:W503 7.02 1 Yes Yes 9 9 2 1
R:R:F239 R:R:N507 27.79 1 Yes No 9 9 2 1
R:R:N507 R:R:Y240 9.3 1 No No 9 8 1 2
R:R:F499 R:R:W503 22.05 0 Yes Yes 9 9 2 1
R:R:T502 R:R:W503 4.85 1 Yes Yes 9 9 2 1
R:R:N535 R:R:T502 7.31 1 No Yes 9 9 2 2
R:R:N535 R:R:W503 4.52 1 No Yes 9 9 2 1
L:L:?1 R:R:W503 11.64 1 Yes Yes 0 9 0 1
R:R:V510 R:R:Y506 3.79 0 No Yes 8 9 2 1
R:R:W525 R:R:Y506 3.86 1 Yes Yes 5 9 2 1
R:R:Y506 R:R:Y529 6.95 1 Yes Yes 9 7 1 1
R:R:C532 R:R:Y506 4.03 1 No Yes 9 9 1 1
L:L:?1 R:R:Y506 11.98 1 Yes Yes 0 9 0 1
L:L:?1 R:R:N507 7.89 1 Yes No 0 9 0 1
R:R:Y529 R:R:Y533 6.95 1 Yes Yes 7 9 1 2
L:L:?1 R:R:Y529 17.22 1 Yes Yes 0 7 0 1
L:L:?1 R:R:C532 9.12 1 Yes No 0 9 0 1
R:R:T234 R:R:W199 3.64 0 No Yes 9 9 2 1
L:L:?1 R:R:A235 2.01 1 Yes No 0 9 0 1
L:L:?1 R:R:A238 2.01 1 Yes No 0 9 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub5.00
Average Interaction Strength10.22
Average Nodes In Shell25.00
Average Hubs In Shell13.00
Average Links In Shell34.00
Average Links Mediated by Hubs In Shell32.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
4U14 A Amine Acetylcholine (muscarinic) M3 Rattus norvegicus Tiotropium - - 3.57 2014-11-26 10.1016/j.str.2014.08.022

A 2D representation of the interactions of 0HK in 4U14
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:I116 R:R:S120 4.64 1 No No 9 9 2 2
R:R:D147 R:R:I116 5.6 1 Yes No 9 9 1 2
R:R:D147 R:R:S120 11.78 1 Yes No 9 9 1 2
R:R:S120 R:R:Y533 5.09 1 No Yes 9 9 2 2
R:R:F124 R:R:W143 5.01 1 Yes Yes 8 7 2 2
R:R:F124 R:R:Y529 14.44 1 Yes Yes 8 7 2 1
R:R:F124 R:R:Y533 4.13 1 Yes Yes 8 9 2 2
R:R:L144 R:R:W143 7.97 0 No Yes 8 7 2 2
R:R:D147 R:R:W143 3.35 1 Yes Yes 9 7 1 2
R:R:L144 R:R:Y148 3.52 0 No Yes 8 9 2 1
R:R:D147 R:R:Y529 4.6 1 Yes Yes 9 7 1 1
R:R:D147 R:R:Y533 6.9 1 Yes Yes 9 9 1 2
L:L:?1 R:R:D147 3.47 1 Yes Yes 0 9 0 1
R:R:W199 R:R:Y148 15.43 1 Yes Yes 9 9 1 1
R:R:I222 R:R:Y148 9.67 1 No Yes 8 9 2 1
L:L:?1 R:R:Y148 21.71 1 Yes Yes 0 9 0 1
L:L:?1 R:R:S151 12.46 1 Yes No 0 9 0 1
R:R:N152 R:R:S195 8.94 1 No No 9 9 1 2
R:R:N152 R:R:W199 11.3 1 No Yes 9 9 1 1
L:L:?1 R:R:N152 3.51 1 Yes No 0 9 0 1
R:R:F499 R:R:V155 3.93 1 Yes No 9 9 2 2
R:R:V155 R:R:W503 3.68 1 No Yes 9 9 2 1
L:L:?1 R:R:W199 5.09 1 Yes Yes 0 9 0 1
R:R:F239 R:R:F499 5.36 1 Yes Yes 9 9 2 2
R:R:F239 R:R:W503 8.02 1 Yes Yes 9 9 2 1
R:R:F239 R:R:N507 26.58 1 Yes No 9 9 2 1
R:R:N507 R:R:Y240 3.49 0 No No 9 8 1 2
R:R:F499 R:R:W503 17.04 1 Yes Yes 9 9 2 1
R:R:F499 R:R:N535 9.67 1 Yes Yes 9 9 2 2
R:R:T502 R:R:W503 4.85 1 No Yes 9 9 2 1
R:R:N535 R:R:T502 10.24 1 Yes No 9 9 2 2
R:R:C532 R:R:W503 14.37 1 No Yes 9 9 1 1
R:R:N535 R:R:W503 12.43 1 Yes Yes 9 9 2 1
L:L:?1 R:R:W503 11.64 1 Yes Yes 0 9 0 1
R:R:M509 R:R:Y506 3.59 1 No Yes 7 9 2 1
R:R:W525 R:R:Y506 7.72 1 Yes Yes 5 9 2 1
R:R:Y506 R:R:Y529 8.94 1 Yes Yes 9 7 1 1
R:R:C532 R:R:Y506 4.03 1 No Yes 9 9 1 1
L:L:?1 R:R:Y506 10.48 1 Yes Yes 0 9 0 1
L:L:?1 R:R:N507 8.77 1 Yes No 0 9 0 1
R:R:M509 R:R:W525 11.63 1 No Yes 7 5 2 2
R:R:Y529 R:R:Y533 10.92 1 Yes Yes 7 9 1 2
L:L:?1 R:R:Y529 8.98 1 Yes Yes 0 7 0 1
L:L:?1 R:R:C532 5.07 1 Yes No 0 9 0 1
L:L:?1 R:R:A238 3.02 1 Yes No 0 9 0 1
R:R:G528 R:R:Y506 2.9 0 No Yes 8 9 2 1
R:R:V510 R:R:Y506 2.52 0 No Yes 8 9 2 1
R:R:T234 R:R:W199 2.43 0 No Yes 9 9 2 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength8.56
Average Nodes In Shell31.00
Average Hubs In Shell14.00
Average Links In Shell48.00
Average Links Mediated by Hubs In Shell45.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
4U15 A Amine Acetylcholine (muscarinic) M3 Rattus norvegicus Tiotropium - - 2.8 2014-11-26 10.1016/j.str.2014.08.022

A 2D representation of the interactions of 0HK in 4U15
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:I116 R:R:S120 6.19 1 No No 9 9 2 2
R:R:I116 R:R:Y533 6.04 1 No Yes 9 9 2 1
R:R:D147 R:R:S120 11.78 1 Yes No 9 9 1 2
R:R:S120 R:R:Y533 7.63 1 No Yes 9 9 2 1
R:R:M121 R:R:W530 8.14 1 No Yes 9 8 2 2
R:R:M121 R:R:Y533 8.38 1 No Yes 9 9 2 1
R:R:F124 R:R:W143 7.02 1 Yes Yes 8 7 2 2
R:R:F124 R:R:Y529 17.54 1 Yes Yes 8 7 2 1
R:R:F124 R:R:W530 5.01 1 Yes Yes 8 8 2 2
R:R:F124 R:R:Y533 6.19 1 Yes Yes 8 9 2 1
R:R:D147 R:R:W143 4.47 1 Yes Yes 9 7 1 2
R:R:D147 R:R:Y529 6.9 1 Yes Yes 9 7 1 1
R:R:D147 R:R:Y533 11.49 1 Yes Yes 9 9 1 1
L:L:?1 R:R:D147 4.33 1 Yes Yes 0 9 0 1
R:R:W199 R:R:Y148 13.5 1 Yes Yes 9 9 1 1
R:R:I222 R:R:Y148 9.67 1 Yes Yes 8 9 2 1
R:R:Y148 R:R:Y529 3.97 1 Yes Yes 9 7 1 1
L:L:?1 R:R:Y148 20.96 1 Yes Yes 0 9 0 1
L:L:?1 R:R:S151 7.67 1 Yes No 0 9 0 1
R:R:N152 R:R:S195 8.94 1 Yes No 9 9 1 2
R:R:N152 R:R:W199 7.91 1 Yes Yes 9 9 1 1
L:L:?1 R:R:N152 5.26 1 Yes Yes 0 9 0 1
R:R:F499 R:R:V155 3.93 1 Yes No 9 9 2 2
R:R:V155 R:R:W503 3.68 1 No Yes 9 9 2 1
R:R:F224 R:R:W199 4.01 1 Yes Yes 9 9 2 1
L:L:?1 R:R:W199 3.64 1 Yes Yes 0 9 0 1
R:R:F224 R:R:I222 3.77 1 Yes Yes 9 8 2 2
L:L:?1 R:R:T234 3.77 1 Yes No 0 9 0 1
L:L:?1 R:R:A238 5.03 1 Yes No 0 9 0 1
R:R:F239 R:R:Y240 12.38 1 Yes Yes 9 8 2 2
R:R:F239 R:R:F499 4.29 1 Yes Yes 9 9 2 2
R:R:F239 R:R:W503 5.01 1 Yes Yes 9 9 2 1
R:R:F239 R:R:N507 27.79 1 Yes No 9 9 2 1
R:R:N507 R:R:Y240 4.65 1 No Yes 9 8 1 2
R:R:F499 R:R:W503 20.04 1 Yes Yes 9 9 2 1
R:R:F499 R:R:N535 4.83 1 Yes Yes 9 9 2 2
R:R:T502 R:R:W503 4.85 1 Yes Yes 9 9 2 1
R:R:N535 R:R:T502 5.85 1 Yes Yes 9 9 2 2
R:R:C532 R:R:W503 14.37 1 No Yes 9 9 1 1
R:R:N535 R:R:W503 4.52 1 Yes Yes 9 9 2 1
L:L:?1 R:R:W503 16 1 Yes Yes 0 9 0 1
R:R:W525 R:R:Y506 8.68 0 Yes Yes 5 9 2 1
R:R:Y506 R:R:Y529 8.94 1 Yes Yes 9 7 1 1
L:L:?1 R:R:Y506 9.73 1 Yes Yes 0 9 0 1
L:L:?1 R:R:N507 9.65 1 Yes No 0 9 0 1
R:R:Y529 R:R:Y533 9.93 1 Yes Yes 7 9 1 1
L:L:?1 R:R:Y529 16.47 1 Yes Yes 0 7 0 1
R:R:W530 R:R:Y533 6.75 1 Yes Yes 8 9 2 1
L:L:?1 R:R:C532 8.11 1 Yes No 0 9 0 1
L:L:?1 R:R:Y533 3.74 1 Yes Yes 0 9 0 1
R:R:G528 R:R:Y506 2.9 0 No Yes 8 9 2 1
R:R:M156 R:R:N152 2.8 0 No Yes 8 9 2 1
R:R:V149 R:R:W199 2.45 0 No Yes 8 9 2 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub8.00
Average Interaction Strength8.80
Average Nodes In Shell33.00
Average Hubs In Shell20.00
Average Links In Shell53.00
Average Links Mediated by Hubs In Shell52.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
5CXV A Amine Acetylcholine (muscarinic) M1 Homo sapiens Tiotropium - - 2.7 2016-03-09 10.1038/nature17188

A 2D representation of the interactions of 0HK in 5CXV
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:I74 R:R:S78 7.74 1 Yes No 8 8 2 2
R:R:I74 R:R:Y408 4.84 1 Yes Yes 8 8 2 1
R:R:D105 R:R:S78 11.78 1 Yes No 9 8 1 2
R:R:S78 R:R:Y408 3.82 1 No Yes 8 8 2 1
R:R:M79 R:R:Y408 13.17 0 Yes Yes 8 8 2 1
R:R:Y404 R:R:Y82 19.86 1 Yes Yes 7 7 1 2
R:R:Y408 R:R:Y82 7.94 1 Yes Yes 8 7 1 2
R:R:D105 R:R:Y404 4.6 1 Yes Yes 9 7 1 1
R:R:D105 R:R:Y408 10.34 1 Yes Yes 9 8 1 1
L:L:?1 R:R:D105 4.33 1 Yes Yes 0 9 0 1
R:R:W157 R:R:Y106 15.43 1 Yes Yes 8 8 1 1
R:R:I161 R:R:Y106 3.63 1 Yes Yes 7 8 2 1
R:R:I180 R:R:Y106 8.46 1 Yes Yes 7 8 2 1
R:R:Y106 R:R:Y404 4.96 1 Yes Yes 8 7 1 1
L:L:?1 R:R:Y106 20.96 1 Yes Yes 0 8 0 1
R:R:S109 R:R:W378 6.18 1 No Yes 8 8 1 1
L:L:?1 R:R:S109 9.59 1 Yes No 0 8 0 1
R:R:Q110 R:R:V113 4.3 1 Yes No 8 9 1 2
R:R:Q110 R:R:S153 5.78 1 Yes No 8 8 1 2
R:R:Q110 R:R:W157 8.76 1 Yes Yes 8 8 1 1
R:R:A196 R:R:Q110 4.55 1 No Yes 8 8 1 1
L:L:?1 R:R:Q110 5.1 1 Yes Yes 0 8 0 1
R:R:V113 R:R:W378 3.68 0 No Yes 9 8 2 1
R:R:I161 R:R:W157 3.52 1 Yes Yes 7 8 2 1
L:L:?1 R:R:W157 8 1 Yes Yes 0 8 0 1
R:R:I161 R:R:I180 5.89 1 Yes Yes 7 7 2 2
R:R:I180 R:R:L183 7.14 1 Yes Yes 7 7 2 2
R:R:L183 R:R:T192 4.42 1 Yes No 7 8 2 1
L:L:?1 R:R:T192 4.71 1 Yes No 0 8 0 1
L:L:?1 R:R:A196 4.02 1 Yes No 0 8 0 1
R:R:F197 R:R:F374 5.36 1 Yes Yes 9 9 2 2
R:R:F197 R:R:W378 7.02 1 Yes Yes 9 8 2 1
R:R:F197 R:R:N382 22.96 1 Yes No 9 8 2 1
R:R:N382 R:R:Y198 5.81 0 No No 8 7 1 2
R:R:F374 R:R:W378 17.04 1 Yes Yes 9 8 2 1
R:R:F374 R:R:N410 3.62 1 Yes No 9 9 2 2
R:R:T377 R:R:W378 3.64 1 Yes Yes 8 8 2 1
R:R:N410 R:R:T377 5.85 1 No Yes 9 8 2 2
R:R:C407 R:R:W378 11.75 1 No Yes 8 8 1 1
R:R:N410 R:R:W378 7.91 1 No Yes 9 8 2 1
L:L:?1 R:R:W378 10.91 1 Yes Yes 0 8 0 1
R:R:W400 R:R:Y381 6.75 1 Yes No 7 8 2 1
R:R:Y381 R:R:Y404 7.94 1 No Yes 8 7 1 1
L:L:?1 R:R:Y381 14.22 1 Yes No 0 8 0 1
L:L:?1 R:R:N382 10.52 1 Yes No 0 8 0 1
R:R:Y404 R:R:Y408 6.95 1 Yes Yes 7 8 1 1
L:L:?1 R:R:Y404 16.47 1 Yes Yes 0 7 0 1
L:L:?1 R:R:C407 6.08 1 Yes No 0 8 0 1
L:L:?1 R:R:Y408 4.49 1 Yes Yes 0 8 0 1
R:R:L156 R:R:W157 3.42 0 No Yes 8 8 2 1
L:L:?1 R:R:A193 2.01 1 Yes No 0 7 0 1
StatisticsValue
Average Number Of Links14.00
Average Number Of Links With An Hub7.00
Average Interaction Strength8.67
Average Nodes In Shell31.00
Average Hubs In Shell18.00
Average Links In Shell51.00
Average Links Mediated by Hubs In Shell50.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
5DSG A Amine Acetylcholine (muscarinic) M4 Homo sapiens Tiotropium - - 2.6 2016-03-16 10.1038/nature17188

A 2D representation of the interactions of 0HK in 5DSG
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:I81 R:R:S85 7.74 1 Yes No 9 9 2 2
R:R:I81 R:R:Y443 4.84 1 Yes Yes 9 9 2 1
R:R:D112 R:R:S85 10.31 1 Yes No 9 9 2 2
R:R:S85 R:R:Y443 7.63 1 No Yes 9 9 2 1
R:R:M86 R:R:W440 8.14 1 Yes Yes 9 9 2 2
R:R:M86 R:R:Y443 4.79 1 Yes Yes 9 9 2 1
R:R:Y439 R:R:Y89 17.87 1 Yes Yes 7 8 1 2
R:R:W440 R:R:Y89 4.82 1 Yes Yes 9 8 2 2
R:R:Y443 R:R:Y89 5.96 1 Yes Yes 9 8 1 2
R:R:D112 R:R:Y439 5.75 1 Yes Yes 9 7 2 1
R:R:D112 R:R:Y443 6.9 1 Yes Yes 9 9 2 1
R:R:W164 R:R:Y113 14.47 1 Yes Yes 8 9 1 1
R:R:I187 R:R:Y113 10.88 0 Yes Yes 7 9 2 1
R:R:Y113 R:R:Y439 4.96 1 Yes Yes 9 7 1 1
L:L:?1 R:R:Y113 20.21 1 Yes Yes 0 9 0 1
R:R:S116 R:R:W413 4.94 1 No Yes 8 9 1 1
L:L:?1 R:R:S116 7.67 1 Yes No 0 8 0 1
R:R:N117 R:R:W164 10.17 0 No Yes 9 8 2 1
R:R:I168 R:R:W164 4.7 0 No Yes 8 8 2 1
L:L:?1 R:R:W164 8.73 1 Yes Yes 0 8 0 1
R:R:I168 R:R:I187 4.42 0 No Yes 8 7 2 2
L:L:?1 R:R:A203 5.03 1 Yes No 0 9 0 1
R:R:F204 R:R:F409 4.29 1 Yes Yes 9 9 2 2
R:R:F204 R:R:W413 6.01 1 Yes Yes 9 9 2 1
R:R:F204 R:R:N417 24.17 1 Yes No 9 9 2 1
R:R:F409 R:R:W413 19.04 1 Yes Yes 9 9 2 1
R:R:F409 R:R:N445 4.83 1 Yes Yes 9 9 2 2
R:R:T412 R:R:W413 4.85 1 No Yes 9 9 2 1
R:R:N445 R:R:T412 7.31 1 Yes No 9 9 2 2
R:R:C442 R:R:W413 11.75 1 No Yes 9 9 1 1
R:R:N445 R:R:W413 4.52 1 Yes Yes 9 9 2 1
L:L:?1 R:R:W413 13.09 1 Yes Yes 0 9 0 1
R:R:V420 R:R:Y416 3.79 0 No Yes 8 9 2 1
R:R:W435 R:R:Y416 6.75 1 Yes Yes 6 9 2 1
R:R:Y416 R:R:Y439 8.94 1 Yes Yes 9 7 1 1
R:R:C442 R:R:Y416 4.03 1 No Yes 9 9 1 1
L:L:?1 R:R:Y416 12.73 1 Yes Yes 0 9 0 1
L:L:?1 R:R:N417 11.4 1 Yes No 0 9 0 1
R:R:Y439 R:R:Y443 8.94 1 Yes Yes 7 9 1 1
L:L:?1 R:R:Y439 17.97 1 Yes Yes 0 7 0 1
R:R:W440 R:R:Y443 6.75 1 Yes Yes 9 9 2 1
L:L:?1 R:R:C442 7.09 1 Yes No 0 9 0 1
L:L:?1 R:R:Y443 5.99 1 Yes Yes 0 9 0 1
L:L:?1 R:R:A200 3.02 1 Yes No 0 8 0 1
StatisticsValue
Average Number Of Links11.00
Average Number Of Links With An Hub6.00
Average Interaction Strength10.27
Average Nodes In Shell27.00
Average Hubs In Shell17.00
Average Links In Shell44.00
Average Links Mediated by Hubs In Shell44.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
6OL9 A Amine Acetylcholine (muscarinic) M5 Homo sapiens Tiotropium - - 2.54 2019-12-11 10.1073/pnas.1914446116

A 2D representation of the interactions of 0HK in 6OL9
colored according to ConSurf Conservation Grade (See documentation): 

 n/a   1    2    3    4    5    6    7    8    9  

(Click to enlarge 🔍)
Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
R:R:I79 R:R:S83 7.74 1 Yes No 9 9 2 2
R:R:I79 R:R:Y485 6.04 1 Yes Yes 9 9 2 1
R:R:D110 R:R:S83 10.31 1 Yes No 9 9 1 2
R:R:S83 R:R:Y485 7.63 1 No Yes 9 9 2 1
R:R:M84 R:R:W482 8.14 1 Yes Yes 9 8 2 2
R:R:M84 R:R:Y485 4.79 1 Yes Yes 9 9 2 1
R:R:W106 R:R:Y87 7.72 1 Yes Yes 8 8 2 2
R:R:Y481 R:R:Y87 18.86 1 Yes Yes 9 8 1 2
R:R:Y485 R:R:Y87 7.94 1 Yes Yes 9 8 1 2
R:R:D110 R:R:W106 15.63 1 Yes Yes 9 8 1 2
R:R:D110 R:R:Y481 5.75 1 Yes Yes 9 9 1 1
R:R:D110 R:R:Y485 10.34 1 Yes Yes 9 9 1 1
L:L:?3 R:R:D110 3.47 1 Yes Yes 0 9 0 1
R:R:W162 R:R:Y111 12.54 1 Yes Yes 8 9 1 1
R:R:I166 R:R:Y111 3.63 1 No Yes 9 9 2 1
R:R:I185 R:R:Y111 8.46 1 Yes Yes 9 9 2 1
R:R:L188 R:R:Y111 3.52 1 Yes Yes 7 9 2 1
R:R:Y111 R:R:Y481 5.96 1 Yes Yes 9 9 1 1
L:L:?3 R:R:Y111 21.71 1 Yes Yes 0 9 0 1
R:R:S114 R:R:W455 4.94 1 No Yes 9 9 1 1
L:L:?3 R:R:S114 8.63 1 Yes No 0 9 0 1
R:R:M119 R:R:N115 5.61 0 No Yes 8 9 2 1
R:R:N115 R:R:S158 8.94 1 Yes No 9 9 1 2
R:R:N115 R:R:W162 10.17 1 Yes Yes 9 8 1 1
L:L:?3 R:R:N115 3.51 1 Yes Yes 0 9 0 1
R:R:F187 R:R:W162 4.01 1 Yes Yes 9 8 2 1
L:L:?3 R:R:W162 3.64 1 Yes Yes 0 8 0 1
R:R:I166 R:R:I185 7.36 1 No Yes 9 9 2 2
R:R:F187 R:R:I185 6.28 1 Yes Yes 9 9 2 2
R:R:I185 R:R:L188 9.99 1 Yes Yes 9 7 2 2
R:R:F187 R:R:L188 6.09 1 Yes Yes 9 7 2 2
R:R:L188 R:R:T197 4.42 1 Yes No 7 9 2 1
L:L:?3 R:R:T197 5.65 1 Yes No 0 9 0 1
R:R:F202 R:R:Y203 10.32 1 Yes Yes 9 8 2 2
R:R:F202 R:R:F451 4.29 1 Yes Yes 9 9 2 2
R:R:F202 R:R:W455 4.01 1 Yes Yes 9 9 2 1
R:R:F202 R:R:N459 26.58 1 Yes Yes 9 9 2 1
R:R:N459 R:R:Y203 3.49 1 Yes Yes 9 8 1 2
R:R:F451 R:R:W455 19.04 1 Yes Yes 9 9 2 1
R:R:F451 R:R:N487 6.04 1 Yes Yes 9 9 2 2
R:R:T454 R:R:W455 4.85 1 No Yes 9 9 2 1
R:R:N487 R:R:T454 8.77 1 Yes No 9 9 2 2
R:R:C484 R:R:W455 13.06 1 No Yes 9 9 1 1
R:R:N487 R:R:W455 7.91 1 Yes Yes 9 9 2 1
L:L:?3 R:R:W455 15.27 1 Yes Yes 0 9 0 1
R:R:N459 R:R:Y458 3.49 1 Yes Yes 9 9 1 1
R:R:W477 R:R:Y458 5.79 1 Yes Yes 7 9 2 1
R:R:Y458 R:R:Y481 4.96 1 Yes Yes 9 9 1 1
L:L:?3 R:R:Y458 17.97 1 Yes Yes 0 9 0 1
L:L:?3 R:R:N459 10.52 1 Yes Yes 0 9 0 1
R:R:Y481 R:R:Y485 9.93 1 Yes Yes 9 9 1 1
L:L:?3 R:R:Y481 15.72 1 Yes Yes 0 9 0 1
R:R:W482 R:R:Y485 5.79 1 Yes Yes 8 9 2 1
L:L:?3 R:R:C484 6.08 1 Yes No 0 9 0 1
L:L:?3 R:R:Y485 3.74 1 Yes Yes 0 9 0 1
L:L:?3 R:R:A201 3.02 1 Yes No 0 9 0 1
R:R:G480 R:R:Y458 2.9 0 No Yes 8 9 2 1
R:R:I193 R:R:T197 1.52 0 No No 8 9 2 1
StatisticsValue
Average Number Of Links13.00
Average Number Of Links With An Hub9.00
Average Interaction Strength9.15
Average Nodes In Shell34.00
Average Hubs In Shell23.00
Average Links In Shell58.00
Average Links Mediated by Hubs In Shell57.00
Physico-chemical properties of the nodes interacting with this ligand (click to enlarge 🔍)
Location of the nodes interacting with this ligand (click to enlarge 🔍)
StatisticsValue
Average Number Of Links12.17
Average Number Of Links With An Hub6.83
Average Interaction Strength9.28
Average Nodes In Shell30.17
Average Hubs In Shell17.50
Average Links In Shell48.00
Average Links Mediated by Hubs In Shell46.67

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Physico-chemical properties of the nodes interacting with this ligand

(Click to enlarge 🔍)

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Location of the nodes interacting with this ligand

(Click to enlarge 🔍)