Code6AT
Name2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate)
Synonyms2-methylthio-adenosine-5'-triphosphate
Identifier[[(2R,3S,4R,5R)-5-(6-azanyl-2-methylsulfanyl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
FormulaC11 H18 N5 O13 P3 S
Molecular Weight553.273
SMILESCSc1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
PubChem5310983
Formal Charge0
Total Atoms51
Total Chiral Atoms4
Total Bonds53
Total Aromatic Bonds10
Networks1
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This ligand is also present in the following network:
Show PDB Class SubFamily Type SubType Species Orthosteric Ligand Other Ligand(s) Protein Partners Resolution Date DOI
4PY0 A Nucleotide P2Y P2Y12 Homo sapiens 2MeSATP - - 3.1 2014-04-30 10.1038/nature13288

A 2D representation of the interactions of 6AT in 4PY0
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:R93 R:R:T89 5.17 1 Yes No 7 4 1 2
R:R:K173 R:R:R93 12.38 0 No Yes 4 7 2 1
R:R:C175 R:R:R93 4.18 1 No Yes 9 7 1 1
L:L:?1 R:R:R93 5.19 1 Yes Yes 0 7 0 1
R:R:C175 R:R:C97 7.28 1 No No 9 9 1 2
L:L:?1 R:R:S101 7.48 1 Yes No 0 6 0 1
R:R:M160 R:R:V102 6.09 0 No No 4 6 2 1
L:L:?1 R:R:V102 8.48 1 Yes No 0 6 0 1
R:R:F252 R:R:Y105 4.13 1 Yes No 7 5 2 1
L:L:?1 R:R:Y105 45.88 1 Yes No 0 5 0 1
R:R:C194 R:R:Y109 17.47 0 No Yes 5 7 1 2
R:R:K179 R:R:N159 4.2 1 No Yes 5 5 1 1
R:R:N159 R:R:W186 5.65 1 Yes Yes 5 5 1 2
R:R:N159 R:R:V190 5.91 1 Yes No 5 5 1 1
L:L:?1 R:R:N159 11.73 1 Yes Yes 0 5 0 1
R:R:K179 R:R:T163 9.01 1 No No 5 5 1 2
R:R:K174 R:R:S176 4.59 0 No No 3 4 1 2
R:R:F177 R:R:K174 17.37 0 No No 5 3 2 1
L:L:?1 R:R:K174 4.01 1 Yes No 0 3 0 1
L:L:?1 R:R:C175 10.16 1 Yes No 0 9 0 1
R:R:Q263 R:R:S176 7.22 1 Yes No 4 4 1 2
L:L:?1 R:R:K179 9.03 1 Yes No 0 5 0 1
R:R:V190 R:R:W186 7.36 1 No Yes 5 5 1 2
R:R:H187 R:R:N191 7.65 1 No Yes 4 5 1 1
R:R:H187 R:R:Q263 9.89 1 No Yes 4 4 1 1
L:L:?1 R:R:H187 14.64 1 Yes No 0 4 0 1
L:L:?1 R:R:V190 8.48 1 Yes No 0 5 0 1
R:R:N191 R:R:R256 12.05 1 Yes Yes 5 6 1 2
R:R:N191 R:R:T260 11.7 1 Yes No 5 5 1 2
L:L:?1 R:R:N191 8.79 1 Yes Yes 0 5 0 1
L:L:?1 R:R:C194 5.65 1 Yes No 0 5 0 1
R:R:F252 R:R:R256 5.34 1 Yes Yes 7 6 2 2
R:R:F252 R:R:L284 6.09 1 Yes No 7 6 2 2
R:R:R256 R:R:Y259 7.2 1 Yes Yes 6 4 2 1
R:R:R256 R:R:T260 7.76 1 Yes No 6 5 2 2
R:R:Q263 R:R:R256 7.01 1 Yes Yes 4 6 1 2
R:R:K280 R:R:R256 6.19 1 Yes Yes 5 6 1 2
R:R:S262 R:R:Y259 3.82 0 No Yes 2 4 2 1
R:R:Q263 R:R:Y259 16.91 1 Yes Yes 4 4 1 1
R:R:F277 R:R:Y259 8.25 0 Yes Yes 4 4 2 1
R:R:K280 R:R:Y259 16.72 1 Yes Yes 5 4 1 1
L:L:?1 R:R:Y259 10.84 1 Yes Yes 0 4 0 1
L:L:?1 R:R:Q263 11.37 1 Yes Yes 0 4 0 1
R:R:E281 R:R:F277 8.16 0 Yes Yes 5 4 2 2
R:R:E281 R:R:K280 6.75 0 Yes Yes 5 5 2 1
R:R:K280 R:R:L284 5.64 1 Yes No 5 6 1 2
L:L:?1 R:R:K280 6.02 1 Yes Yes 0 5 0 1
StatisticsValue
Average Number Of Links15.00
Average Number Of Links With An Hub6.00
Average Interaction Strength11.18
Average Nodes In Shell32.00
Average Hubs In Shell13.00
Average Links In Shell47.00
Average Links Mediated by Hubs In Shell42.00
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 Links15.00
Average Number Of Links With An Hub6.00
Average Interaction Strength11.18
Average Nodes In Shell32.00
Average Hubs In Shell13.00
Average Links In Shell47.00
Average Links Mediated by Hubs In Shell42.00

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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 🔍)