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:P62 1.8125406
2R:R:M64 5.2725405
3R:R:Y65 8.795407
4R:R:Y83 11.6325437
5R:R:M92 4.892506
6R:R:T93 7.9175417
7R:R:Y96 7.9375407
8R:R:D104 8.09619
9R:R:F107 6.012516
10R:R:L111 6.62418
11R:R:W114 6.4975406
12R:R:W122 8.78714729
13R:R:F124 9.95427
14R:R:Y136 9.814516
15R:R:K137 6.5725415
16R:R:M138 5.0775405
17R:R:F140 10.062517
18R:R:M144 5.908517
19R:R:W145 8.73405
20R:R:L148 5.145447
21R:R:S151 6.06449
22R:R:Y155 4.5508
23R:R:I158 2.1575408
24R:R:W183 5.292509
25R:R:F220 9.366554
26R:R:Q227 5.12405
27R:R:F232 7.9025418
28R:R:Y243 4.9625408
29R:R:I262 4.02405
30R:R:F272 6.594519
31R:R:F275 5.848507
32R:R:Q276 8.158518
33R:R:Y279 7.865616
34R:R:N280 8.8375418
35R:R:T311 3.7975406
36R:R:Y312 7.7575405
37R:R:C316 5.1475417
38R:R:R318 8.62333619
39R:R:C319 6.3525418
40R:R:N322 6.84419
41R:R:Y326 6.314519
42R:R:K332 11.54417
43R:R:F333 5.234518
44R:R:L337 5.355416
45W:W:?1 10.961110
46I:I:?1 7.098510
   

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:I63 R:R:M64 13.42561.46NoYes055
2R:R:I63 R:R:W59 11.21883.52NoNo051
3R:R:L61 R:R:Y65 13.183211.72NoYes067
4R:R:M64 R:R:Y65 19.65054.79YesYes057
5R:R:L111 R:R:Y65 21.500111.72YesYes087
6R:R:Y312 R:R:Y65 16.09166.95YesYes057
7R:R:C69 R:R:L111 15.65154.76NoYes068
8R:R:C319 R:R:L108 11.12954.76YesNo085
9R:R:C319 R:R:F107 51.69344.19YesYes186
10R:R:F107 R:R:L111 33.92443.65YesYes168
11R:R:G75 R:R:P323 10.51734.06NoNo079
12R:R:C319 R:R:D104 40.570210.89YesYes189
13I:I:?1 R:R:D104 74.57758.05YesYes109
14R:R:F333 R:R:Y326 12.42434.13YesYes189
15I:I:?1 R:R:Y326 1004.64YesYes109
16R:R:Y326 W:W:?1 81.74636.03YesYes190
17R:R:T95 R:R:Y83 13.73176.24NoYes057
18R:R:K176 R:R:T95 15.6773NoNo035
19R:R:C179 R:R:K176 20.12886.47NoNo073
20R:R:C179 R:R:N99 22.335611.02NoNo079
21R:R:N99 R:R:W183 24.5367.91NoYes099
22R:R:S142 R:R:W183 41.62898.65NoYes069
23R:R:G143 R:R:S142 45.77463.71NoNo096
24R:R:F272 R:R:G143 47.82834.52YesNo099
25R:R:F272 R:R:Q276 27.64214.68YesYes198
26R:R:Q276 R:R:Y136 48.402313.53YesYes186
27R:R:F107 R:R:Y136 25.58211.35YesYes166
28R:R:F272 R:R:R318 49.480213.9YesYes199
29R:R:C319 R:R:R318 17.45655.57YesYes189
30R:R:Y136 R:R:Y279 40.70418.94YesYes166
31R:R:Y279 R:R:Y312 34.932112.91YesYes065
32R:R:T93 W:W:?1 27.642115.17YesYes170
33R:R:D153 R:R:M92 22.56529.7NoYes086
34R:R:D153 R:R:T93 13.9557.23NoYes087
35R:R:D153 R:R:R154 14.171815.48NoNo089
36R:R:R154 W:W:?1 26.653511.81NoYes090
37R:R:I150 R:R:T93 14.35044.56NoYes087
38R:R:D104 R:R:L100 21.85094.07YesNo099
39R:R:L100 R:R:L146 20.47964.15NoNo098
40R:R:N322 R:R:R318 36.2974.82YesYes199
41R:R:C316 R:R:Y312 18.93625.38YesYes075
42R:R:W114 R:R:Y312 41.2085.79YesYes065
43R:R:W114 R:R:W122 28.01845.62YesYes069
44R:R:N280 R:R:Y279 19.26145.81YesYes186
45R:R:F140 R:R:N280 22.756612.08YesYes178
46R:R:F140 R:R:M144 21.32794.98YesYes177
47R:R:F140 R:R:F232 12.392410.72YesYes178
48R:R:M144 R:R:P235 39.32656.71YesNo079
49R:R:I182 R:R:L146 19.29975.71NoNo068
50R:R:P235 R:R:W145 37.49616.21NoYes095
51R:R:L185 R:R:W145 51.96129.11NoYes045
52R:R:F272 R:R:L147 27.68673.65YesNo098
53R:R:L147 R:R:V269 25.90097.45NoNo087
54R:R:M239 R:R:V269 24.37024.56NoNo077
55R:R:M239 R:R:S151 19.05736.13NoYes479
56R:R:S151 R:R:Y243 11.505810.17YesYes098
57R:R:A157 R:R:R154 13.16415.53NoNo089
58R:R:M92 R:R:V171 11.78011.52YesNo066
59R:R:L189 R:R:Q227 42.04992.66NoYes055
60R:R:L185 R:R:L189 50.34122.77NoNo045
61R:R:I213 R:R:Y196 11.66534.84NoNo044
62R:R:Q224 R:R:Y196 13.06214.51NoNo554
63R:R:Q224 R:R:Q227 28.12048.96NoYes055
64R:R:F220 R:R:Q224 13.253415.23YesNo545
65R:R:F232 R:R:L233 15.26883.65YesNo084
66R:R:I158 R:R:L250 12.6732.85YesNo088
67R:R:A157 R:R:I158 10.98921.62NoYes088
68R:R:I158 R:R:R258 10.23661.25YesNo086
69R:R:I262 R:R:R258 13.91671.25YesNo056
70R:R:I262 W:W:?1 26.14324.08YesYes050
71R:R:F275 R:R:R318 11.05948.55YesYes079
72R:R:Y279 R:R:Y308 16.30846.95YesNo064
73R:R:T311 R:R:Y279 15.18593.75YesYes066
74R:R:F140 R:R:Q276 16.225512.88YesYes178
75R:R:F272 R:R:M144 31.99826.22YesYes197
76R:R:I182 R:R:W145 19.25514.7NoYes065
77R:R:C316 R:R:F107 20.78585.59YesYes176
78R:R:Q276 R:R:R318 32.15138.18YesYes189
79R:R:F232 R:R:M144 11.88218.71YesYes187
80R:R:D104 R:R:R318 33.91810.72YesYes199
81I:I:?1 R:R:N322 31.86438.15YesYes109
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:V79 R:R:Y326 5.05 0 No Yes 9 9 2 1
R:R:F333 R:R:T82 7.78 1 Yes No 8 6 1 1
R:R:L337 R:R:T82 4.42 1 Yes No 6 6 2 1
R:R:T82 W:W:?1 4.21 1 No Yes 6 0 1 0
R:R:F86 R:R:L89 3.65 0 No No 5 7 2 2
R:R:D336 R:R:F86 21.5 1 No No 5 5 1 2
R:R:K332 R:R:L89 4.23 1 Yes No 7 7 1 2
R:R:T91 R:R:T93 4.71 1 No Yes 7 7 1 1
R:R:D94 R:R:T91 13.01 1 No No 8 7 1 1
R:R:T91 W:W:?1 14.33 1 No Yes 7 0 1 0
R:R:I150 R:R:T93 4.56 0 No Yes 8 7 2 1
R:R:D153 R:R:T93 7.23 0 No Yes 8 7 2 1
R:R:T93 W:W:?1 15.17 1 Yes Yes 7 0 1 0
R:R:D94 R:R:K332 8.3 1 No Yes 8 7 1 1
R:R:D94 W:W:?1 25.61 1 No Yes 8 0 1 0
R:R:L97 R:R:Y326 11.72 1 No Yes 7 9 1 1
R:R:L97 W:W:?1 7.91 1 No Yes 7 0 1 0
R:R:D153 R:R:R154 15.48 0 No No 8 9 2 1
R:R:A157 R:R:R154 5.53 0 No No 8 9 2 1
R:R:R154 W:W:?1 11.81 0 No Yes 9 0 1 0
R:R:I262 R:R:V264 7.68 0 Yes No 5 7 1 2
R:R:I262 W:W:?1 4.08 0 Yes Yes 5 0 1 0
R:R:F333 R:R:Y326 4.13 1 Yes Yes 8 9 1 1
R:R:Y326 W:W:?1 6.03 1 Yes Yes 9 0 1 0
I:I:?1 R:R:Y326 4.64 1 Yes Yes 0 9 2 1
R:R:D336 R:R:K332 11.06 1 No Yes 5 7 1 1
R:R:K332 W:W:?1 22.57 1 Yes Yes 7 0 1 0
R:R:F333 R:R:L337 7.31 1 Yes Yes 8 6 1 2
R:R:F333 W:W:?1 4.18 1 Yes Yes 8 0 1 0
R:R:D336 W:W:?1 4.66 1 No Yes 5 0 1 0
R:R:I262 R:R:V331 3.07 0 Yes No 5 5 1 2
R:R:A327 R:R:F333 2.77 0 No Yes 7 8 2 1
R:R:I262 R:R:R258 1.25 0 Yes No 5 6 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
100.00Consensusccr7_off_alloOther Ligand6QZH-CCR7-HY-133073; Na
53.33Single6LFLPubChem 1534669966LFL-CXCR2-PubChem 153466996
47.06Single5LWEVercirnon5LWE-CCR9-Vercirnon
47.06Consensusccr9_off_alloOther Ligand5LWE-CCR9-Vercirnon
35.71Single5T1APubChem 68764898; PubChem 120931705T1A-CCR2-PubChem 68764898; PubChem 12093170
33.33Consensusccr2_off_alloOther Ligand5T1A-CCR2-PubChem 68764898; PubChem 12093170 6GPX-CCR2-MK0812
23.53Single5X7DPubChem 1293189635X7D-β2-(S)-Carazolol-PubChem 129318963
22.22Single3VG9Antibody3VG9-A2A-ZM241385-Antibody
21.05Single8FN0PubChem 1186104278FN0-NTS1-Neurotensin/neuromedin N-PubChem 118610427-chim(NtGi1-Go)/&β;1/&γ;2
21.05Single8JPCPubChem 118610427; GDP; Mg8JPC-NTS1-Neurotensin 8-13-PubChem 118610427; GDP; Mg-Gq; GRK2
20.69Single3VGAAntibody3VGA-A2A-ZM241385-Antibody
20.00Single8JPBPubChem 118610427; GDP; Mg8JPB-NTS1-Neurotensin 8-13-PubChem 118610427; GDP; Mg-Gq; GRK2
17.65Consensusnts1_on_alloOther Ligand8JPB-NTS1-Neurotensin 8-13-PubChem 118610427; GDP; Mg-Gq; GRK2
15.79Single8JPFPubChem 1186104278JPF-NTS1-Neurotensin-PubChem 118610427
15.79Single8JR9PCO3718JR9-PTH1-PCO371-chim(NtGi1-Gs)/&β;1/&γ;2
15.00Single8GW8KHF8GW8-PTH1-KHF-Gs/&β;1/&γ;2
9.52Consensusffa3_on_alloOther Ligand8J20-FFA3-Valeric acid-AR420626-Gi1/&β;1/&γ;2
9.09Single8J20AR4206268J20-FFA3-Valeric acid-AR420626-Gi1/&β;1/&γ;2
8.70Single8TB7PubChem 1685102188TB7-GPR61-PubChem 168510218
8.33Single7EVMPubChem 1560227387EVM-GLP-1-PubChem 156022738-Gs/&β;1/&γ;2
7.14Single4PXFOctyl Beta-D-Glucopyranoside4PXF-Rhodopsin-Octyl Beta-D-Glucopyranoside-Arrestin1_Finger_loop
7.14Single7DUQPubChem 1560227387DUQ-GLP-1-GLP-1-PubChem 156022738-Gs/&β;1/&γ;2
5.00Single7EJX(1R;2R)-2-PCCA7EJX-GPR88-(1R;2R)-2-PCCA-Gi1/&β;1/&γ;2
4.55Single5XF1NNC06405XF1-Glucagon-NNC0640
4.17Single8JD5BQI; HZE; PEF8JD5-mGlu2; mGlu4-Glutamate-BQI; HZE; PEF-Gi1/&β;1/&γ;2
4.00Single8JD3HZR; PEF8JD3-mGlu2; mGlu3-Glutamate-HZR; PEF-Gi1/&β;1/&γ;2
3.85Single8SZGCa; Ca; Tryptophan; Cinacalcet; PO4; PCW8SZG-CaS-Ca; Ca; Tryptophan; Cinacalcet; PO4; PCW-chim(NtGi1-Gq)/&β;1/&γ;2
3.57Single8SZHCa; Ca; Tryptophan; Cinacalcet; PO4; PCW8SZH-CaS-Ca; Ca; Tryptophan; Cinacalcet; PO4; PCW-Gi1/&β;1/&γ;2

PDB Summary
PDB 6QZH
Class A
SubFamily Protein
Type Chemokine
SubType CCR7
Species Homo sapiens
Ligand -
Other Ligand(s) HY-133073; Na
Protein Partners -
PDB Resolution 2.1
Date 2019-09-04
D.O.I. 10.1016/j.cell.2019.07.028
Net Summary
Imin 3.65
Number of Linked Nodes 252
Number of Links 281
Number of Hubs 46
Number of Links mediated by Hubs 165
Number of Communities 5
Number of Nodes involved in Communities 45
Number of Links involved in Communities 66
Path Summary
Number Of Nodes in MetaPath 82
Number Of Links MetaPath 81
Number of Shortest Paths 42650
Length Of Smallest Path 3
Average Path Length 11.3542
Length of Longest Path 24
Minimum Path Strength 1.365
Average Path Strength 6.80225
Maximum Path Strength 18.87
Minimum Path Correlation 0.7
Average Path Correlation 0.925054
Maximum Path Correlation 0.99
Minimum % Of Corr. Nodes 5.26316
Average % Of Corr. Nodes 58.7443
Maximum % Of Corr. Nodes 100
Minimum Path Hubs % 0
Average Path Hubs % 57.862
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 .
CodeJLW
PDB ResiduesW:W:?1
Environment DetailsOpen EMBL-EBI Page
CodeJLW
Name3-[[4-[[(1~{R})-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-~{N},~{N},6-trimethyl-2-oxidanyl-benzamide
Synonyms
Identifier3-[[4-[[(1~{R})-2,2-dimethyl-1-(5-methylfuran-2-yl)propyl]amino]-1,1-bis(oxidanylidene)-1,2,5-thiadiazol-3-yl]amino]-~{N},~{N},6-trimethyl-2-oxidanyl-benzamide
FormulaC22 H29 N5 O5 S
Molecular Weight475.561
SMILESCc1ccc(c(c1C(=O)N(C)C)O)NC2=NS(=O)(=O)N=C2N[C@@H](c3ccc(o3)C)C(C)(C)C
PubChem136165388
Formal Charge0
Total Atoms62
Total Chiral Atoms1
Total Bonds64
Total Aromatic Bonds11

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
UniProtP32248
Sequence
>6QZH_Chain_R
DVRNFKAWF LPIMYSIIC FVGLLGNGL VVLTYIYFK RLKTMTDTY 
LLNLAVADI LFLLTLPFW AYSAAKSWV FGVHFCKLI FAIYKMSFF 
SGMWLLLCI SIDRYVAIV HRHRARVLL ISKLSCVGI WILATVLSI 
PELLYSDLQ RSSSEQAMR CSLITEHVE AFITIQVAQ MVIGFLVPL 
LAMSFCYLV IISKLHGHE RNIKVIIAV VVVFIVFQL PYNGVVLAQ 
TVTCELSKQ LNIAYDVTY SLACVRCCV NPFLYAFIG VKFRNDLFK 
LF


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 network is also present in following consensuses:
IdComponents
ccr7_off_allo6QZH-CCR7-HY-133073; Na

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
6QZHAProteinChemokineCCR7Homo sapiens-HY-133073; Na-2.12019-09-0410.1016/j.cell.2019.07.028




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 6QZH.zip



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