Color ConSurf Grade
      No Conservation data available
      1
      2
      3
      4
      5
      6
      7
      8
      9

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

Hub: the hub being considered.

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

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

Community: the id of the community the link belong to, otherwise 0.

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

Index Hub Avg Int. Strength Num Of Links Community ConSurf
1L:L:?1 6.773571410
2R:R:H28 6.09538
3R:R:Y29 4.385647
4R:R:F52 5.106516
5R:R:F83 3.492508
6R:R:L87 4.814559
7R:R:D91 6.106559
8R:R:Y98 8.14857716
9R:R:N101 6.2275415
10R:R:S105 5.805414
11R:R:T113 3.36407
12R:R:Q116 6.0325414
13R:R:W117 5.062509
14R:R:F118 4.1825406
15R:R:R120 5.37516
16R:R:E121 6.602515
17R:R:P178 6.46415
18R:R:L195 5.82413
19R:R:Y198 9.3725414
20R:R:Y202 7.6925417
21R:R:Y221 3.994579
22R:R:L262 3.1925407
23R:R:W269 6.238508
24R:R:D279 3.875424
25R:R:V280 3.48404
26R:R:L290 7.055423
27R:R:N303 6.645409
28R:R:P308 3.3975409
29R:R:Y311 3.26479
   

Color ConSurf Grade
      No Conservation data available
      1
      2
      3
      4
      5
      6
      7
      8
      9

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.

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

Int. Strength: the interaction strength between the two nodes.

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

Community: the id of the community the link belong to, otherwise 0.

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

Index Node1 Node2 Recurrence Int. Strength Hub1? Hub2? Community ConSurf1 ConSurf2
1L:L:?1 R:R:N101 14.51639.09YesYes105
2R:R:N101 R:R:R120 15.60217.23YesYes156
3R:R:L104 R:R:R120 23.6864.86NoYes146
4R:R:L104 R:R:Q116 17.7793.99NoYes144
5R:R:Q116 R:R:T113 11.8822.83YesYes047
6L:L:?1 R:R:S105 16.00189.94YesYes104
7R:R:R120 R:R:S105 13.49826.59YesYes164
8L:L:?1 R:R:E121 41.27394.39YesYes105
9R:R:E121 R:R:W117 36.38248.72YesYes059
10R:R:L197 R:R:W117 11.18075.69NoYes049
11R:R:W117 R:R:Y29 20.68222.89YesYes097
12L:L:?1 R:R:M124 25.92566.55YesNo106
13R:R:M124 R:R:Y98 26.70744.79NoYes166
14R:R:F52 R:R:Y98 21.23526.19YesYes166
15L:L:?1 R:R:L297 25.97844.58YesNo005
16R:R:L297 R:R:Y98 24.52815.86NoYes056
17R:R:F52 R:R:T48 12.18363.89YesNo065
18R:R:C56 R:R:Y98 18.24652.69NoYes056
19R:R:C56 R:R:T99 15.21763.38NoNo056
20L:L:?1 R:R:L128 55.63936.42YesNo006
21R:R:L128 R:R:W269 55.68715.69NoYes068
22R:R:N303 R:R:W269 72.4436.78YesYes098
23R:R:N303 R:R:N307 62.01912.26YesNo099
24R:R:D91 R:R:N307 20.1774.04YesNo599
25R:R:D91 R:R:N63 17.316412.12YesNo099
26R:R:N63 R:R:P308 12.0784.89NoYes099
27L:L:?1 R:R:V132 57.82623.95YesNo007
28R:R:V132 R:R:W269 58.16053.68NoYes078
29L:L:?1 R:R:F210 57.16515.65YesNo007
30R:R:F210 R:R:W269 57.403912.03NoYes078
31R:R:F265 R:R:W269 1003.01NoYes098
32R:R:F265 R:R:L135 97.45123.65NoNo099
33R:R:L135 R:R:Y311 60.77723.52NoYes099
34R:R:I84 R:R:Y311 22.6682.42NoYes089
35R:R:I70 R:R:I84 21.36592.94NoNo078
36R:R:I70 R:R:M318 20.07392.92NoNo078
37R:R:L135 R:R:L87 42.74194.15NoYes099
38R:R:I138 R:R:L87 61.25982.85NoYes089
39R:R:F83 R:R:I138 58.9953.77YesNo088
40R:R:F83 R:R:P79 17.24861.44YesNo087
41R:R:P79 R:R:R78 14.89581.44NoNo077
42R:R:R78 R:R:Y81 12.54564.12NoNo079
43R:R:F76 R:R:Y81 13.935628.88NoNo089
44R:R:L87 R:R:N307 40.95725.49YesNo599
45R:R:M318 R:R:N315 11.46724.21NoNo088
46R:R:E141 R:R:F83 30.11595.83NoYes098
47R:R:R142 R:R:Y311 16.51964.12NoYes799
48R:R:M80 R:R:R142 16.37634.96NoNo089
49R:R:E141 R:R:M80 15.33078.12NoNo098
50R:R:L87 R:R:S134 19.48327.51YesNo098
51R:R:N86 R:R:S134 17.06515.96NoNo098
52R:R:N86 R:R:W168 12.21383.39NoNo099
53L:L:?1 R:R:L195 31.81263.67YesYes103
54L:L:?1 R:R:F125 22.102417.74YesNo105
55R:R:F125 R:R:Y202 20.68976.19NoYes157
56R:R:Y221 R:R:Y311 22.97722.98YesYes799
57R:R:E141 R:R:T145 40.76625.64NoNo098
58R:R:M146 R:R:T145 37.47331.51NoNo088
59R:R:L227 R:R:M146 10.33361.41NoNo068
60R:R:W182 R:R:Y202 18.10821.93NoYes057
61R:R:H201 R:R:W182 13.22938.46NoNo045
62R:R:H199 R:R:H201 11.59293.58NoNo044
63R:R:L195 R:R:V194 27.86624.47YesNo034
64R:R:D279 R:R:V194 21.95661.46YesNo044
65R:R:D279 R:R:L290 11.01226.79YesYes243
66R:R:M146 R:R:V228 23.71871.52NoNo088
67R:R:L252 R:R:V228 20.51131.49NoNo058
68R:R:L252 R:R:R233 13.75961.21NoNo054
69R:R:R233 R:R:S232 10.54221.32NoNo045
70R:R:N303 R:R:T306 12.86984.39YesNo095
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.

ConSurf Conservation Grade (See documentation): 

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

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.


Links and nodes colored according to ConSurf Conservation Grade (See documentation): 

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

Node1 Node2 LinkStrength Comm IsNode1Hub? IsNode2Hub? Node1Cons Node2Cons Node1Shell Node2Shell
L:L:?1 R:R:N101 9.09 1 Yes Yes 0 5 0 1
L:L:?1 R:R:S105 9.94 1 Yes Yes 0 4 0 1
L:L:?1 R:R:E121 4.39 1 Yes Yes 0 5 0 1
L:L:?1 R:R:M124 6.55 1 Yes No 0 6 0 1
L:L:?1 R:R:F125 17.74 1 Yes No 0 5 0 1
L:L:?1 R:R:L128 6.42 1 Yes No 0 6 0 1
L:L:?1 R:R:S129 7.95 1 Yes No 0 6 0 1
L:L:?1 R:R:V132 3.95 1 Yes No 0 7 0 1
L:L:?1 R:R:L195 3.67 1 Yes Yes 0 3 0 1
L:L:?1 R:R:C206 7.36 1 Yes No 0 6 0 1
L:L:?1 R:R:V209 2.96 1 Yes No 0 5 0 1
L:L:?1 R:R:F210 5.65 1 Yes No 0 7 0 1
L:L:?1 R:R:L276 4.58 1 Yes No 0 6 0 1
L:L:?1 R:R:L297 4.58 1 Yes No 0 5 0 1
R:R:M124 R:R:Y98 4.79 1 No Yes 6 6 1 2
R:R:L297 R:R:Y98 5.86 0 No Yes 5 6 1 2
R:R:N101 R:R:S105 2.98 1 Yes Yes 5 4 1 1
R:R:N101 R:R:R120 7.23 1 Yes Yes 5 6 1 2
R:R:M124 R:R:N101 5.61 1 No Yes 6 5 1 1
R:R:G106 R:R:S105 3.71 0 No Yes 4 4 2 1
R:R:R120 R:R:S105 6.59 1 Yes Yes 6 4 2 1
R:R:R120 R:R:W117 3 1 Yes Yes 6 9 2 2
R:R:E121 R:R:W117 8.72 1 Yes Yes 5 9 1 2
R:R:E121 R:R:L195 9.28 1 Yes Yes 5 3 1 1
R:R:E121 R:R:Y198 8.98 1 Yes Yes 5 4 1 2
R:R:F125 R:R:Y202 6.19 1 No Yes 5 7 1 2
R:R:C206 R:R:F125 2.79 1 No No 6 5 1 1
R:R:L128 R:R:W269 5.69 0 No Yes 6 8 1 2
R:R:S129 R:R:S171 4.89 0 No No 6 8 1 2
R:R:L213 R:R:V132 4.47 0 No No 8 7 2 1
R:R:V132 R:R:W269 3.68 0 No Yes 7 8 1 2
R:R:L195 R:R:V194 4.47 1 Yes No 3 4 1 2
R:R:L195 R:R:Y198 5.86 1 Yes Yes 3 4 1 2
R:R:Y198 R:R:Y202 12.91 1 Yes Yes 4 7 2 2
R:R:F210 R:R:W269 12.03 0 No Yes 7 8 1 2
R:R:F210 R:R:F273 10.72 0 No No 7 6 1 2
R:R:L272 R:R:L276 2.77 0 No No 6 6 2 1
R:R:E121 R:R:G122 1.64 1 Yes No 5 6 1 2
R:R:T208 R:R:V209 1.59 0 No No 4 5 2 1

Location and physicochemical properties of the interaction partners of this ligand

Interactions of this ligand

Similarities between the interactions of this ligand and those of other networks

PDB Summary
PDB 7EO4_nogp
Class
SubFamily
Type
SubType
Species
Ligand
Other Ligand(s)
Protein Partners
PDB Resolution
Date
D.O.I.
Net Summary
Imin 2.75
Number of Linked Nodes 256
Number of Links 271
Number of Hubs 29
Number of Links mediated by Hubs 116
Number of Communities 7
Number of Nodes involved in Communities 40
Number of Links involved in Communities 52
Path Summary
Number Of Nodes in MetaPath 71
Number Of Links MetaPath 70
Number of Shortest Paths 85259
Length Of Smallest Path 3
Average Path Length 13.1706
Length of Longest Path 25
Minimum Path Strength 1.265
Average Path Strength 5.22635
Maximum Path Strength 20.275
Minimum Path Correlation 0.7
Average Path Correlation 0.938372
Maximum Path Correlation 0.99
Minimum % Of Corr. Nodes 5
Average % Of Corr. Nodes 57.0355
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 41.0108
Maximum Path Hubs % 100
AnnotationTypeLinks
Gene OntologyMolecular Function
Gene OntologyBiological Process
Gene OntologyCellular Component
SCOP2Domain Identifier• Transducin (heterotrimeric G protein), gamma chain   • G protein-coupled receptor-like
SCOP2Family Identifier• Transducin (heterotrimeric G protein), gamma chain   • G protein-coupled receptor-like
Membrane Protein Annotations-• Orientations of Proteins in Membranes database (OPM)   • Protein Data Bank of Transmembrane Proteins (PDBTM)   • MemProtMD


Details about the values in these tables can be found in the corresponding documentation page .
CodeJ8C
PDB ResiduesL:L:?1
Environment DetailsOpen EMBL-EBI Page
CodeJ8C
NameSiponimod
Synonyms
  • Siponimod fumarate
  • Siponimod
Identifier
FormulaC29 H35 F3 N2 O3
Molecular Weight516.595
SMILES
PubChem72959169
Formal Charge0
Total Atoms72
Total Chiral Atoms0
Total Bonds75
Total Aromatic Bonds12

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtP21453
Sequence
>7EO4_nogp_Chain_R
SDYVNYDII VRHYNYTGK LNIKLTSVV FILICCFII LENIFVLLT 
IWKTKKFHR PMYYFIGNL ALSDLLAGV AYTANLLLS GATTYKLTP 
AQWFLREGS MFVALSASV WSLLAIAIE RYITMLKMK NFRLFLLIS 
ACWVISLIL GGLPIMGWN CISALSSCS TVLPLYHKH YILFCTTVF 
TLLLLSIVI LYCRIYSLV RTRSRRLTF RSLALLKTV IIVLSVFIA 
CWAPLFILL LLDVGCKVK TCDILFRAE YFLVLAVLN SGTNPIIYT 
LTNKEMRRA FIR


Click on each residue to open a popup with some information about it.

ConSurf Conservation Grade (See documentation): 

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




This receptor, from the same or other species and bound to the same or other ligands, is also present in the following networks:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
8G94ALipidLysophospholipidS1P1Homo sapiens-CD69Gi1/β1/γ23.152023-04-19doi.org/10.7554/eLife.88204
8G94 (No Gprot) ALipidLysophospholipidS1P1Homo sapiens-CD693.152023-04-19doi.org/10.7554/eLife.88204
7EVYALipidLysophospholipidS1P1Homo sapiensSiponimod-Gi1/β1/γ22.982021-09-29doi.org/10.1038/s41422-021-00566-x
7EVY (No Gprot) ALipidLysophospholipidS1P1Homo sapiensSiponimod-2.982021-09-29doi.org/10.1038/s41422-021-00566-x
7EVZALipidLysophospholipidS1P1Homo sapiensCenerimod-Gi1/β1/γ23.072021-09-29doi.org/10.1038/s41422-021-00566-x
7EVZ (No Gprot) ALipidLysophospholipidS1P1Homo sapiensCenerimod-3.072021-09-29doi.org/10.1038/s41422-021-00566-x
7EW0ALipidLysophospholipidS1P1Homo sapiensOzanimod-Gi1/β1/γ23.422021-09-29doi.org/10.1038/s41422-021-00566-x
7EW0 (No Gprot) ALipidLysophospholipidS1P1Homo sapiensOzanimod-3.422021-09-29doi.org/10.1038/s41422-021-00566-x
7EW7ALipidLysophospholipidS1P1Homo sapiensSEW2871-Gi1/β1/γ23.272021-09-29doi.org/10.1038/s41422-021-00566-x
7EW7 (No Gprot) ALipidLysophospholipidS1P1Homo sapiensSEW2871-3.272021-09-29doi.org/10.1038/s41422-021-00566-x
7TD3ALipidLysophospholipidS1P1Homo sapiensS1P-Gi1/β1/γ232022-02-09doi.org/10.1038/s41467-022-28417-2
7TD3 (No Gprot) ALipidLysophospholipidS1P1Homo sapiensS1P-32022-02-09doi.org/10.1038/s41467-022-28417-2
7TD4ALipidLysophospholipidS1P1Homo sapiensSiponimod-Gi1/β1/γ22.62022-02-09doi.org/10.1038/s41467-022-28417-2
7TD4 (No Gprot) ALipidLysophospholipidS1P1Homo sapiensSiponimod-2.62022-02-09doi.org/10.1038/s41467-022-28417-2
7EO2ALipidLysophospholipidS1P1Homo sapiensFTY720-P-Gi1/β1/γ22.892022-01-05doi.org/10.1038/s41589-021-00930-3
7EO2 (No Gprot) ALipidLysophospholipidS1P1Homo sapiensFTY720-P-2.892022-01-05doi.org/10.1038/s41589-021-00930-3
7EO4ALipidLysophospholipidS1P1Homo sapiensBAF312-Gi1/β1/γ22.862022-01-05doi.org/10.1038/s41589-021-00930-3
7EO4 (No Gprot) ALipidLysophospholipidS1P1Homo sapiensBAF312-2.862022-01-05doi.org/10.1038/s41589-021-00930-3
7WF7ALipidLysophospholipidS1P1Homo sapiensS1P-Gi1/β1/γ23.42022-01-05doi.org/10.1038/s41589-021-00930-3
7WF7 (No Gprot) ALipidLysophospholipidS1P1Homo sapiensS1P-3.42022-01-05doi.org/10.1038/s41589-021-00930-3
7VIEALipidLysophospholipidS1P1Homo sapiensS1P-Gi1/β1/γ22.862022-09-28doi.org/10.1073/pnas.2117716119
7VIE (No Gprot) ALipidLysophospholipidS1P1Homo sapiensS1P-2.862022-09-28doi.org/10.1073/pnas.2117716119
7VIFALipidLysophospholipidS1P1Homo sapiensS-FTY720-P-Gi1/β1/γ22.832022-09-28doi.org/10.1073/pnas.2117716119
7VIF (No Gprot) ALipidLysophospholipidS1P1Homo sapiensS-FTY720-P-2.832022-09-28doi.org/10.1073/pnas.2117716119
7VIGALipidLysophospholipidS1P1Homo sapiensCBP-307-Gi1/β1/γ22.892022-09-28doi.org/10.1073/pnas.2117716119
7VIG (No Gprot) ALipidLysophospholipidS1P1Homo sapiensCBP-307-2.892022-09-28doi.org/10.1073/pnas.2117716119
7VIHALipidLysophospholipidS1P1Homo sapiensCBP-307-Gi1/β1/γ22.982022-09-28doi.org/10.1073/pnas.2117716119
7VIH (No Gprot) ALipidLysophospholipidS1P1Homo sapiensCBP-307-2.982022-09-28doi.org/10.1073/pnas.2117716119
3V2WALipidLysophospholipidS1P1Homo sapiensPubChem 51892645--3.352012-02-15doi.org/10.1126/science.1215904
3V2YALipidLysophospholipidS1P1Homo sapiensPubChem 51892645--2.82012-02-15doi.org/10.1126/science.1215904
8YICALipidLysophospholipidS1P1Homo sapiensSAR247799-Gi1/β1/γ23.472024-12-11To be published
8YIC (No Gprot) ALipidLysophospholipidS1P1Homo sapiensSAR247799-3.472024-12-11To be published




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 7EO4_nogp.zip



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