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
1R:R:Y82 7.72667617
2R:R:F86 6.4325416
3R:R:L90 3.8175416
4R:R:F100 5.726526
5R:R:Y113 5.298507
6R:R:M114 5.914528
7R:R:D121 8.48833629
8R:R:F128 4.91518
9R:R:Y134 7.45333615
10R:R:H135 7.042515
11R:R:N139 7.6515
12R:R:W141 7.64167619
13R:R:Y143 7.175407
14R:R:Y156 8.2405
15R:R:N158 6.13833628
16R:R:Y160 7.465447
17R:R:F165 7.754537
18R:R:Q172 8.19408
19R:R:W199 11.6439
20R:R:L221 4.365403
21R:R:H227 6.55455
22R:R:D228 4.8375414
23R:R:F240 5.3475403
24R:R:Y242 8.99405
25R:R:F243 10.8275406
26R:R:P254 3.625409
27R:R:Y262 7.706509
28R:R:L288 5.12408
29R:R:M295 4.1875406
30R:R:Y296 6.25479
31R:R:H310 12.146554
32R:R:I314 4.416552
33R:R:V322 4.8225404
34R:R:Y323 7.095604
35R:R:Y326 12.4775454
36R:R:N336 6.2075429
37R:R:D340 7.47667629
38R:R:Y344 5.91778929
39R:R:Y345 5.8075407
40R:R:F346 5.225407
41R:R:V347 5.68407
42R:R:H354 6.9275465
43W:W:?1 11.8525830
44I:I:?1 8.206520
   

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
1R:R:L69 R:R:Y323 28.81313.52NoYes044
2R:R:L69 R:R:N139 17.41766.87NoYes145
3R:R:N139 R:R:Y134 10.883610.47YesYes155
4R:R:W141 R:R:Y134 29.65578.68YesYes195
5R:R:W141 R:R:Y143 29.862315.43YesYes097
6R:R:I142 R:R:Y143 20.70527.25NoYes017
7R:R:I142 R:R:N140 19.15044.25NoNo014
8R:R:I223 R:R:N140 17.58938.5NoNo034
9R:R:I223 R:R:L221 16.02174.28NoYes033
10R:R:I218 R:R:L221 11.2818.56NoYes043
11R:R:D228 R:R:L69 11.37644.07YesNo144
12R:R:H135 R:R:Y134 10.886810.89YesYes155
13R:R:I327 R:R:L78 17.18234.28NoNo045
14R:R:H135 R:R:P79 12.37484.58YesNo055
15R:R:I136 R:R:P79 10.04745.08NoNo045
16R:R:F128 R:R:Y82 10.13966.19YesYes187
17R:R:I132 R:R:I136 10.10782.94NoNo074
18R:R:D340 R:R:M295 94.10194.16YesYes096
19R:R:F300 R:R:M295 96.34354.98NoYes096
20R:R:F300 R:R:I163 95.297413.82NoNo797
21R:R:I163 R:R:P254 97.2913.39NoYes079
22R:R:L164 R:R:P254 1003.28NoYes069
23R:R:I198 R:R:L164 60.61174.28NoNo076
24R:R:F165 R:R:I198 60.53868.79YesNo077
25R:R:C161 R:R:F165 29.99594.19NoYes077
26R:R:C161 W:W:?1 29.14694.64NoYes070
27R:R:F154 W:W:?1 48.930113.36NoYes350
28R:R:F154 R:R:W127 49.33077.02NoNo057
29R:R:L151 R:R:W127 47.80457.97NoNo057
30R:R:L151 R:R:W141 47.26084.56NoYes059
31R:R:F165 R:R:W199 29.81786.01YesYes379
32R:R:W199 W:W:?1 29.016620YesYes390
33R:R:D340 R:R:Y344 78.0775.75YesYes299
34R:R:A118 R:R:Y344 13.51944NoYes089
35R:R:A118 R:R:L97 12.44163.15NoNo087
36R:R:M114 R:R:Y344 61.60387.18YesYes289
37R:R:L169 R:R:M114 29.03254.24NoYes088
38R:R:L169 R:R:Y113 28.1393.52NoYes087
39R:R:Q172 R:R:Y113 15.36993.38YesYes087
40R:R:M114 R:R:V347 38.7816.09YesYes087
41R:R:C148 R:R:W141 11.32566.53NoYes199
42R:R:C148 R:R:T215 12.95033.38NoNo194
43R:R:H310 R:R:Y323 46.87617.62YesYes044
44R:R:H310 R:R:Y311 42.58376.53YesNo045
45R:R:F243 R:R:Y311 42.66959.28YesNo065
46R:R:F243 R:R:Y242 48.22112.38YesYes065
47R:R:L246 R:R:Y242 53.06354.69NoYes055
48R:R:L164 R:R:V250 55.484.47NoNo065
49R:R:L288 R:R:V347 27.41414.47YesYes087
50R:R:L288 R:R:Y262 11.39239.38YesYes089
51R:R:K187 R:R:Q172 11.32878.14NoYes068
52R:R:R173 R:R:V347 10.511610.46NoYes097
53R:R:K187 R:R:M181 10.33354.32NoNo065
54R:R:H310 R:R:I314 16.02176.63YesYes542
55R:R:I314 R:R:V236 13.23657.68YesNo023
56R:R:K315 R:R:V236 12.16813.04NoNo023
57R:R:F240 R:R:K315 10.01246.2YesNo032
58R:R:F346 R:R:L288 15.48123.65YesYes078
59R:R:I327 R:R:Y323 17.45577.25NoYes044
60R:R:L78 R:R:Y82 12.54654.69NoYes157
61R:R:L246 R:R:V250 47.07964.47NoNo455
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
R:R:F165 R:R:N116 14.5 3 Yes No 7 9 2 2
R:R:N116 R:R:W199 13.56 3 No Yes 9 9 2 1
R:R:L119 R:R:L123 6.92 0 No No 6 7 2 1
R:R:L119 R:R:W199 6.83 0 No Yes 6 9 2 1
R:R:F154 R:R:L123 3.65 3 No No 5 7 1 1
R:R:L123 W:W:?1 14.18 3 No Yes 7 0 1 0
R:R:F154 R:R:W127 7.02 3 No No 5 7 1 2
R:R:G153 R:R:Y210 5.79 0 No No 6 5 2 1
R:R:F154 W:W:?1 13.36 3 No Yes 5 0 1 0
R:R:A157 W:W:?1 10.37 0 No Yes 5 0 1 0
R:R:C161 R:R:F165 4.19 0 No Yes 7 7 1 2
R:R:C161 R:R:I202 4.91 0 No No 7 8 1 2
R:R:C161 W:W:?1 4.64 0 No Yes 7 0 1 0
R:R:F165 R:R:W199 6.01 3 Yes Yes 7 9 2 1
R:R:W199 W:W:?1 20 3 Yes Yes 9 0 1 0
R:R:L203 W:W:?1 10.13 0 No Yes 3 0 1 0
R:R:T206 R:R:Y210 4.99 0 No No 7 5 2 1
R:R:Y210 W:W:?1 18.87 0 No Yes 5 0 1 0
R:R:V211 W:W:?1 3.27 0 No Yes 3 0 1 0
R:R:L203 R:R:L204 2.77 0 No No 3 4 1 2
R:R:V211 R:R:V212 1.6 0 No No 3 4 1 2

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

ShowSimilarityNetwork TypeNameLigandDescription
36.36Single8U4RCholesterol8U4R-CXCR4-REGN7663-Fab-Cholesterol
33.33Single7FEEZCZ0117FEE-CB1-PubMed 104895-ZCZ011
21.43Single7WV9ZCZ0117WV9-CB1-PubMed 104895-ZCZ011-Gi2/&β;1/&γ;2
21.43Single8G94CD698G94-S1P1-CD69-Gi1/&β;1/&γ;2
21.43Consensuscb1_on_alloOther Ligand7WV9-CB1-PubMed 104895-ZCZ011-Gi2/&β;1/&γ;2
16.67Single6KQIORG275696KQI-CB1-PubMed 104895-ORG27569
16.67Consensuscb1_off_alloOther Ligand6KQI-CB1-PubMed 104895-ORG27569
15.38Single8U4OCholesterol8U4O-CXCR4-CXCL12-Cholesterol-Gi1/&β;1/&γ;2
14.29Single8U4QCholesterol8U4Q-CXCR4-REGN7663-Fab-Cholesterol-Gi1/&β;1/&γ;2
9.09Single8SAI1-oleoyl-2-hydroxy-sn-glycero-3-phospho-L-serine8SAI-GPR34-1-oleoyl-2-hydroxy-sn-glycero-3-phospho-L-serine-Gi1/&β;1/&γ;2
8.33Single8U4NCholesterol8U4N-CXCR4-Cholesterol-Gi1/&β;1/&γ;2
7.69Single8T3O2Y58T3O-FFA4-TUG-891-2Y5-chim(NtGi2L-Gs-CtGq)/&β;1/&γ;2
7.69Single8U4PCholesterol8U4P-CXCR4-AMD3100-Cholesterol-Gi1/&β;1/&γ;2
7.69Consensusffa4_on_alloOther Ligand8T3O-FFA4-TUG-891-2Y5-chim(NtGi2L-Gs-CtGq)/&β;1/&γ;2
6.67Consensusmt1_onOrthosteric Ligand7VGY-MT1-2-Iodomelatonin-Gi1/&β;1/&γ;2 7DB6-MT1-Ramelteon-Gi1/&β;1/&γ;2
5.88Single8IYXYL-3658IYX-GPR34-YL-365
5.88Single8T3VDHA8T3V-FFA1-DHA-chim(NtGi2L-Gs-CtGq)/&β;1/&γ;2
5.88Single8WC8ZH86518WC8-TA1-ZH8651-chim(NtGi1-Gs)/&β;1/&γ;2
5.88Consensusgi_melatoninOrthosteric Ligand7VGY-MT1-2-Iodomelatonin-Gi1/&β;1/&γ;2 7DB6-MT1-Ramelteon-Gi1/&β;1/&γ;2 7VH0-MT2-Ramelteon-Gi1/&β;1/&γ;1
5.56Single7DB6Ramelteon7DB6-MT1-Ramelteon-Gi1/&β;1/&γ;2
5.56Consensusffa1_onOrthosteric Ligand8EIT-FFA1 (GPR40)-Doconexent-chim(NtGi1L-Gs-CtGq)/&β;1/&γ;2 8EJC-FFA1 (GPR40)-TAK-875-chim(NtGi1L-Gs-CtGq)/&β;1/&γ;2 8T3V-FFA1-DHA-chim(NtGi2L-Gs-CtGq)/&β;1/&γ;2
5.00Single8XBIS3E-LysoPS8XBI-GPR34-S3E-LysoPS
4.17Single8XBHS3E-LysoPS8XBH-GPR34-S3E-LysoPS-Gi1/&β;1/&γ;2
3.57Single8KH5Lysophosphatidylserine8KH5-GPR174-Lysophosphatidylserine-Gs/&β;1/&γ;2
3.45Single7XV3Lysophosphatidylserine7XV3-GPR174-Lysophosphatidylserine-chim(NtGi1-Gs)/&β;1/&γ;2

PDB Summary
PDB 5NDZ
Class A
SubFamily Peptide
Type Proteinase-activated
SubType PAR2
Species Homo sapiens
Ligand -
Other Ligand(s) AZ3451; Na
Protein Partners -
PDB Resolution 3.6
Date 2017-05-03
D.O.I. 10.1038/nature22309
Net Summary
Imin 3.28
Number of Linked Nodes 276
Number of Links 319
Number of Hubs 44
Number of Links mediated by Hubs 170
Number of Communities 7
Number of Nodes involved in Communities 60
Number of Links involved in Communities 86
Path Summary
Number Of Nodes in MetaPath 62
Number Of Links MetaPath 61
Number of Shortest Paths 57730
Length Of Smallest Path 3
Average Path Length 15.7981
Length of Longest Path 35
Minimum Path Strength 1.38
Average Path Strength 6.44554
Maximum Path Strength 19.975
Minimum Path Correlation 0.7
Average Path Correlation 0.925881
Maximum Path Correlation 0.99
Minimum % Of Corr. Nodes 3.57143
Average % Of Corr. Nodes 44.8655
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 45.2837
Maximum Path Hubs % 100
AnnotationTypeLinks
Gene OntologyMolecular Function
Gene OntologyBiological Process
Gene OntologyCellular Component
SCOP2Domain Identifier
SCOP2Family Identifier
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 .
Code8UN
PDB ResiduesW:W:?1
Environment DetailsOpen EMBL-EBI Page
Code8UN
Name2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide
Synonyms
Identifier2-(6-bromanyl-1,3-benzodioxol-5-yl)-~{N}-(4-cyanophenyl)-1-[(1~{S})-1-cyclohexylethyl]benzimidazole-5-carboxamide
FormulaC30 H27 Br N4 O3
Molecular Weight571.464
SMILESC[C@@H](C1CCCCC1)n2c3ccc(cc3nc2c4cc5c(cc4Br)OCO5)C(=O)Nc6ccc(cc6)C#N
PubChem126961335
Formal Charge0
Total Atoms65
Total Chiral Atoms1
Total Bonds70
Total Aromatic Bonds22

CodeNA
PDB ResiduesI:I:?1
Environment DetailsOpen EMBL-EBI Page
CodeNA
NameSODIUM ION
Synonyms
Identifiersodium(+1) cation
FormulaNa
Molecular Weight22.99
SMILES[Na+]
PubChem
Formal Charge1
Total Atoms1
Total Chiral Atoms0
Total Bonds0
Total Aromatic Bonds0

PDBsumOpen PDBsum Page
ChainR
ProteinReceptor
UniProtP55085
Sequence
>5NDZ_Chain_R
FSVDEFSAS VLTGKLTTV FLPIVYTIV FVVALPSNG MALWVFLFR 
TKKKAPAVI YMANLALAD LLSVIWFPL KIAYHIHGN NWIYGEALC 
NVLIGFFYA NMYCSILFL TCLSVQRAW EIVNPMGHS RKKANIAIG 
ISLAIWLLI LLVTIPLYV VKQTIFIPA LQITTCHDV LPEQLLVGD 
MFNYFLSLA IGVFLFPAF LTASAYVLM IRALENSEK KRKRAIKLA 
VTVAAMYLI CFTPSNLLL VVHYFLIKS QGQSHVYAL YIVALCLST 
LNSCIDPFV YYFVSHDFR DHAKNAL


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
5NDDAPeptideProteinase-activatedPAR2Homo sapiens-AZ8838; Na-2.82017-05-0310.1038/nature22309
5NDZAPeptideProteinase-activatedPAR2Homo sapiens-AZ3451; Na-3.62017-05-0310.1038/nature22309
5NJ6APeptideProteinase-activatedPAR2Homo sapiens---42017-05-0310.1038/nature22309




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Download 5NDZ.zip



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