Orange: nodes, hubs and links specific of p2y1_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of p2y1_on network

Index: hub id, click on each number to highlight the corresponding hub in the 3D visualization.

Hub: the hub being considered.

Owner: the name of the network the hub belong to or "Shared" if the corresponding hub is present in both networks.

Avg Int. Strength: the average interaction strength of all the links of the corresponding hub in the corresponding network.

Num Of Links: the number of links of the corresponding hub in the corresponding network.

ConSurf: this column reports the ConSurf conservation grades of each hub.


Index Hub Owner p2y1_off Avg Int. Strength p2y1_on Avg Int. Strength p2y1_off Num Of Links p2y1_on Num Of Links ConSurf
12x39 p2y1_off7.635.15667437
22x43 p2y1_off3.9663.73528
32x44 p2y1_off6.1989.44333535
42x50 p2y1_off7.2913.975429
52x51 p2y1_off4.7725.56667537
6E1.T115 p2y1_off7.02754.53434
73x30 p2y1_off5.3712.255426
83x32 p2y1_off5.83257.56667437
93x37 p2y1_off8.465.405527
103x50 p2y1_off6.56758.39429
113x52 p2y1_off4.3083.82333535
124x63 p2y1_off8.8326.24534
137x31 p2y1_off12.97514.4967434
141x39 Shared7.291674.86647
151x57 Shared5.157.44446
16I1.W83 Shared9.17258.56456
172x42 Shared7.654.85457
182x53 Shared8.15758.29447
192x57 Shared4.25253.9825447
20E1x50 Shared8.753337.37833668
21E1x52 Shared6.9664.1275547
223x42 Shared11.236.692457
233x51 Shared5.761677.6975647
24E2.R195 Shared7.5510.84551
255x36 Shared8.5167.774554
265x39 Shared7.52259.57445
275x58 Shared8.626.93167669
286x48 Shared9.72757.7458
297x53 Shared4.9456.26649
30Lig Shared10.82788.643649110
311x35 p2y1_on10.67334.1625346
321x56 p2y1_on2.736.17247
331x60 p2y1_on3.26.0425345
342x63 p2y1_on9.769.384355
352x64 p2y1_on7.97.344355
363x28 p2y1_on6.433335.08344
373x29 p2y1_on11.42679.275345
383x43 p2y1_on2.774.4875148
393x46 p2y1_on4.6055.4025248
403x56 p2y1_on7.347.6275346
414x50 p2y1_on8.696677.41349
42E2.T201 p2y1_on7.679.35243
43E2x50 p2y1_on10.939.2025349
44E2x51 p2y1_on5.233338.718354
45E2x52 p2y1_on11.23338.98356
46E2.T205 p2y1_on7.636679.035345
475x33 p2y1_on9.3653.73244
486x49 p2y1_on3.585.03245
496x52 p2y1_on14.40679.1875348
506x54 p2y1_on6.032.6225345
516x55 p2y1_on6.985.526256
526x62 p2y1_on15.11338.5875345
536x63 p2y1_on6.3254.1475243
547x34 p2y1_on11.39677.40333364
557x35 p2y1_on12.84678.93355
567x38 p2y1_on10.418.08345
577x54 p2y1_on03.836056
   
Orange: nodes, hubs and links specific of p2y1_off network

Green: nodes, hubs and links shared by both networks

Purple: nodes, hubs and links specific of p2y1_on network

Index: link id, click on each number to highlight the corresponding link in the 3D visualization.

Node1 Node2: the two nodes of the corresponding link.

Owner: the name of the network the link belong to or "Shared" if the corresponding link is present in both networks.

Recurrence: the relative Recurrence in the filtered pool of shortest paths.

Hub1?, Hub2?: "Yes" if the corresponding node has more than 3 links, otherwise "No".

ConSurf1, ConSurf2: these columns report the ConSurf conservation grades of the two nodes involved in a link.


Index Node1 Node2 Owner p2y1_off Recurrence p2y1_on Recurrence p2y1_off Hub1? p2y1_on Hub1? p2y1_off Hub2? p2y1_on Hub2? ConSurf1 ConSurf2
17x23 7x27 p2y1_off12.21040NoNoNoNo42
27x26 7x27 p2y1_off14.36350NoNoNoNo12
37x26 7x30 p2y1_off15.43236.23047NoNoNoNo14
46x58 7x30 p2y1_off17.55437.45768NoNoNoNo44
5E1.T115 E2.R195 p2y1_off10.29340YesNoYesYes41
61x35 2x64 p2y1_off17.67624.88932NoYesNoYes65
72x63 E1.T115 p2y1_off20.08091.20443NoYesYesNo54
82x60 3x28 p2y1_off14.48550NoNoNoYes74
93x28 E1x50 p2y1_off13.18324.97396NoYesYesYes48
102x53 7x42 p2y1_off41.57570YesYesNoNo77
111x57 2x44 p2y1_off22.79180.240885YesYesYesNo65
121x57 7x53 p2y1_off29.70760YesYesYesYes69
137x49 7x53 p2y1_off88.26690NoNoYesYes99
142x50 7x49 p2y1_off1000YesNoNoNo99
152x50 3x35 p2y1_off51.47470YesNoNoNo98
162x50 7x46 p2y1_off51.15310YesNoNoNo99
172x53 7x46 p2y1_off51.24390YesYesNoNo79
181x58 2x44 p2y1_off10.51130NoNoYesNo35
192x39 2x43 p2y1_off41.51860YesNoYesNo78
202x43 7x53 p2y1_off62.18060YesNoYesYes89
212x39 3x49 p2y1_off20.51427.42188YesNoNoNo78
222x39 3x50 p2y1_off22.56870YesNoYesNo79
232x41 4x42 p2y1_off11.35960NoNoNoNo68
242x42 4x42 p2y1_off12.46721.2793YesYesNoNo78
252x43 3x46 p2y1_off16.74490YesNoNoYes88
262x41 4x46 p2y1_off10.24670NoNoNoNo67
273x37 5x43 p2y1_off21.28460YesNoNoNo75
285x39 5x43 p2y1_off22.19252.05078YesYesNoNo55
294x63 5x39 p2y1_off12.37654.19271YesNoYesYes45
303x33 4x60 p2y1_off28.23163.72396NoNoNoNo54
313x40 6x48 p2y1_off13.39595.85612NoNoYesYes78
326x48 7x45 p2y1_off19.85520YesYesNoNo89
337x45 7x49 p2y1_off20.91363.10221NoNoNoNo99
343x40 5x50 p2y1_off12.30120NoNoNoNo79
353x50 6x30 p2y1_off16.23130YesNoNoNo94
363x51 3x52 p2y1_off12.87450YesYesYesNo75
373x52 I2x57 p2y1_off17.2438.66862YesNoNoNo58
383x54 6x30 p2y1_off15.18590NoNoNoNo84
393x54 5x65 p2y1_off12.00810NoNoNoNo88
401x39 7x42 p2y1_off40.92716.60482YesYesNoNo77
417x34 Lig p2y1_off14.49060NoYesYesYes40
424x60 5x39 p2y1_off29.17076.29232NoNoYesYes45
431x39 2x60 p2y1_off14.89010YesYesNoNo77
44E2.R195 Lig Shared11.27420.7129YesYesYesYes10
452x63 2x64 Shared16.750118.5742NoYesNoYes55
467x34 7x38 Shared26.916448.7533NoYesNoYes45
476x58 7x34 Shared11.948417.8092NoNoNoYes44
481x35 1x39 Shared19.084819.8763NoYesYesYes67
491x39 2x57 Shared10.996413.0208YesYesYesYes77
502x53 3x32 Shared66.06413.5872YesYesYesNo77
513x32 3x33 Shared64.764311.569YesNoNoNo75
523x33 E2x52 Shared37.103412.6107NoNoNoYes56
537x38 E2x52 Shared31.842623.7467NoYesNoYes56
542x53 3x35 Shared51.656317.2493YesYesNoNo78
552x42 3x46 Shared15.75412.7376YesYesNoYes78
563x49 I2x57 Shared18.353310.8203NoNoNoNo88
576x62 Lig p2y1_on4.0052916.8327NoYesYesYes50
587x31 7x35 p2y1_on2.8483211.5592YesNoNoYes45
597x31 Lig p2y1_on0.90015310.4134YesNoYesYes40
607x34 7x35 p2y1_on030.7227NoYesNoYes45
616x58 6x62 p2y1_on015.5664NoNoNoYes45
622x64 Lig p2y1_on011.0059NoYesYesYes50
631x50 2x50 p2y1_on4.573411.276NoNoYesNo99
642x50 7x50 p2y1_on012.4967YesNoNoNo99
652x46 7x50 p2y1_on013.7109NoNoNoNo99
662x46 3x43 p2y1_on1.1491928.903NoNoNoYes98
673x43 6x45 p2y1_on069.6517NoYesNoNo89
686x45 6x48 p2y1_on3.4371894.0625NoNoYesYes98
696x48 6x52 p2y1_on0100YesYesNoYes88
706x51 6x52 p2y1_on089.5833NoNoNoYes78
716x51 7x34 p2y1_on090.0326NoNoNoYes74
721x50 2x51 p2y1_on010.0488NoNoYesNo97
737x54 8x50 p2y1_on021.1556NoYesNoNo68
742x43 8x50 p2y1_on024.2253YesNoNoNo88
751x57 2x43 p2y1_on025.2702YesYesYesNo68
761x57 I1.W83 p2y1_on025.8431YesYesYesYes66
772x40 I1.W83 p2y1_on6.3166434.0137NoNoYesYes76
782x37 2x40 p2y1_on034.9902NoNoNoNo77
792x37 2x39 p2y1_on036.9238NoNoYesNo77
802x39 3x46 p2y1_on042.6009YesNoNoYes78
813x46 7x53 p2y1_on054.6582NoYesYesYes89
823x43 7x53 p2y1_on056.4681NoYesYesYes89
832x46 3x42 p2y1_on014.9186NoNoYesYes97
84E2x52 Lig p2y1_on011.6146NoYesYesYes60
852x63 E1x50 p2y1_on5.0429316.3672NoYesYesYes58
862x64 7x38 p2y1_on026.3607NoYesNoYes55
87E2.N197 E2.T199 p2y1_on0.020752810.5827NoNoNoNo44
88E2.N197 E2.R195 p2y1_on1.6576313.2129NoNoYesYes41
893x25 E2x50 p2y1_on4.9625111.709NoNoNoYes99
903x22 E2.T192 p2y1_on3.6083910.1921NoNoNoNo35
913x25 E2.T192 p2y1_on015.2507NoNoNoNo95
923x34 4x57 p2y1_on010.4264NoNoNoNo57
933x34 3x35 p2y1_on013.8509NoNoNoNo58
943x47 5x58 p2y1_on0.010376422.6367NoNoYesYes99
955x54 5x58 p2y1_on5.6110430.1107NoNoYesYes89
965x54 6x45 p2y1_on030.8268NoNoNoNo89
973x47 5x57 p2y1_on021.4941NoNoNoNo96
983x51 5x57 p2y1_on1.2347920.3516YesYesNoNo76
993x51 5x60 p2y1_on3.69414.6647YesYesNoNo74
100E2x51 Lig p2y1_on013.0339NoYesYesYes40
1015x44 6x55 p2y1_on015NoNoNoYes56
1025x58 6x41 p2y1_on1.14415.0781YesYesNoNo97
1036x41 7x53 p2y1_on016.1686NoNoYesYes79
1045x60 5x63 p2y1_on2.4669913.4701NoNoNoNo45
1055x63 5x67 p2y1_on1.2347912.2689NoNoNoNo55
1065x66 5x67 p2y1_on011.0612NoNoNoNo35
1071x35 7x35 p2y1_on018.0241NoYesNoYes65
1085x44 6x52 p2y1_on1.0194814.7038NoNoNoYes58

Here, those paths that begin and end at given residue pair(s) or that pass through a residue are used to generate a novel metapath. Such a path filtering is particularly recommended if some information on allosteric residues is available. The selection syntax for a residue pair ("Pairs") is C:C:c534,A:A:?600 (the lower-case "c" stands for cytosine and "?" indicates any non standard amino acid or nucleotide residue). Selection of more than one apical residue pair has the following syntax: C:C:c534,A:A:?600,C:C:c534,A:A:E41. Only one residue can be selected as a tail ("Tail"). For midway residue(s), each residue must be separated by a comma as well e.g. A:A:?600,A:A:E41.

Midway



Download PSN data

2D representation of the global metapath, ligand(s) interactions and
histograms of path distribution according to several parameters
(click on the image to enlarge it 🔍):

A 2D representation of the global communication in the network.

Number of shortest communication paths as a function of the average residue correlation.

Number of shortest communication paths as a function of the average interaction strength of their links.

Number of shortest communication paths as a function of the % of hub nodes in each path.

Number of shortest communication paths as a function of the number of nodes in each path.

Number of shortest communication paths as a function of the % of correlated nodes in each path.


2D representation of the interactions of this orthosteric/allosteric ligand.


Node1Node2OwnerNet1LinkStrengthNet2LinkStrengthComm1Comm2Node1ShellNode2Shell
E3.Q291NT.C42Shared6.13.050012
7x31NT.L44p2y1_off18.7601011
LigNT.L44p2y1_off19.8901101
7x28NT.T45p2y1_off8.6700021
1x32NT.K46p2y1_off7.4401021
E1.T115NT.K46p2y1_off9.0101021
LigNT.K46p2y1_off5.2901101
1x317x31p2y1_off10.1501021
1x317x35Shared17.927.681022
1x32E1.T115Shared5.193.891022
1x352x64Shared8.213.520021
1x362x64p2y1_off5.5600021
2x632x64Shared9.9314.890111
2x63E1.T115Shared8.744.990112
2x63E1x50Shared10.6111.580112
E1.T115E2.R195p2y1_off5.1701021
E1x50E2x50Shared14.3713.062122
3x294x64p2y1_off5.2700112
3x29E2x50Shared11.149.750112
3x29E2x52Shared17.8713.10111
3x33E2x52Shared6.33.780021
E2.N197E2.R195Shared4.827.231021
E2.R195E2.T199p2y1_off9.0601112
E2.R195E2.T201Shared10.359.061111
E2.R195LigShared8.3511.321110
E2.N197E2.T199Shared13.1614.621022
E2.T201E2x51Shared4.9919.970111
E2.S207E2x51Shared6.361.270021
7x38E2x52Shared9.533.570121
5x36E2.T205Shared9.9911.241121
6x62E2.T205p2y1_off6.4701011
E2.T205LigShared6.4510.071110
5x36E2.T206Shared6.2411.241122
5x336x62Shared14.583.640021
5x366x55p2y1_off4.7801122
6x587x30Shared4.434.431012
6x587x34Shared17.448.141011
6x58Ligp2y1_off13.7301010
6x62LigShared24.2910.561010
7x317x35Shared11.2719.161012
7x31LigShared11.7210.921010
7x347x38Shared12.3514.41112
7x34Ligp2y1_off4.401110
7x357x38Shared9.358.181122
E2.G193E2x51Shared4.352.90021
E3.Q291Ligp2y1_off3.3300010
7x28NT.L44p2y1_off1.3600021
E3.Q291NT.K41p2y1_on09.490012
7x28NT.K46p2y1_on012.440021
1x322x64p2y1_on04.131021
1x327x31p2y1_on013.411021
1x357x35p2y1_on03.990022
2x603x29p2y1_on09.720021
2x63E2x50p2y1_on06.720112
2x63Ligp2y1_on08.740110
2x647x38p2y1_on06.170112
2x64Ligp2y1_on08.010110
E1.T115E2.T201p2y1_on04.711021
3x29Ligp2y1_on04.530110
E2.K196E2.R195p2y1_on017.330021
E2.R195E2x51p2y1_on09.261111
E2.T201Ligp2y1_on03.660110
E2x51Ligp2y1_on010.190110
E2.T205E2x52p2y1_on010.121111
E2x52Ligp2y1_on014.330110
E2.T205E2.T206p2y1_on04.711112
5x33E2.T206p2y1_on04.420022
6x517x34p2y1_on04.137021
6x557x34p2y1_on08.360021
6x586x62p2y1_on09.641011
6x62E3.Q291p2y1_on010.511011
7x347x35p2y1_on05.641112
7x347x37p2y1_on03.751112
1x351x36p2y1_on03.280022
LigNT.T45p2y1_on02.751101

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Difference Members
Id Description
p2y1_off 4XNW-P2Y1-MRS2500
p2y1_on 7XXH-P2Y1-2MeSADP-chim(NtGi1-G11)/β1/γ2
Network Difference
Value p2y1_off p2y1_on
Imin 4.35 3.38
Number of Linked Nodes 271 284
Number of Specific Nodes 10 (3.69%) 23  (8.10%)
Number of Shared Nodes 261 (96.31%) 261  (91.90%)
Number of Links 293 321
Number of Specific Links 146 (49.83%) 174  (54.21%)
Number of Shared Links 147 (50.17%) 147  (45.79%)
Number of Hubs 30 44
Number of Specific Hubs 13 (43.33%) 27  (61.36%)
Number of Shared Hubs 17 (56.67%) 17  (38.64%)
Average % Shared Neighbours (Jaccard) 32.54
Average % Shared Neighbours (Otsuka) 41.44
Average % Shared Neighbours (Overlap Coefficient) 49.57
Average % Shared Cliques (k3-6) 51.92
Graphlets Similarity 0.550246
Paths Difference
Value p2y1_off p2y1_on
Number Of Nodes in MetaPath 55 64
Specific Nodes in MetaPath 28 (50.91%) 37  (57.81%)
Shared Nodes in MetaPath 261 (96.31%) 261  (96.31%)
Number Of Links MetaPath 56 65
Specific Links in MetaPath 43 (76.79%) 52  (80.00%)
Shared Links in MetaPath 147 (50.17%) 147  (50.17%)
Number of Shortest Paths 60102 57375
Length Of Smallest Path 3 3
Average Path Length 14.6999 13.7738
Length of Longest Path 32 32
Minimum Path Strength 1.555 1.38
Average Path Strength 7.18433 6.65599
Maximum Path Strength 22.09 14.6825
Minimum Path Correlation 0.7 0.7
Average Path Correlation 0.922578 0.930854
Maximum Path Correlation 0.99 0.99
Minimum % Of Corr. Nodes 4.7619 3.84615
Average % Of Corr. Nodes 48.5445 48.9518
Maximum % Of Corr. Nodes 100 100
Minimum Path Hubs % 0 0
Average Path Hubs % 39.1574 46.8369
Maximum Path Hubs % 100 100

Details about the values in these tables can be found in the corresponding documentation page .

You can download a compressed (zip) file with structure(s), 3D outputs (as PyMol and VMD scripts) and numerical data files (as csv and plain text files).

Download p2y1_off_on.zip<



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