Study : SAP022 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: AGS_B_6(3C4J) / Model_29(3C4J/B) = [4.0] Download1001.282.06MIKLENVFVKKGNKNILDGCNFNFEKGKSYALVGESGAGKSTLLNIIAGFEDVSQGSIYIEDKLLKKKVDFYRYTLGYLFQNFALLENQTISQNLDLALKFKKNKKDNMNLKKEVLKKVGLDLDIKRIVSSLSGGEQQRVALARLILKDPKIILADEPTGSLDTKNGKIVIDLLLKLLDENKTMIVVTHDLELAKRFDVIVNISELRS
Complex: AT4_D_8(2OLK) / Model_34(2OLK/D) = [4.3] Download1378.122.35MIKLENVFVKKGNKNILDGCNFNFEKGKSYALVGESGAGKSTLLNIIAGFEDVSQGSIYIEDKLLKKKVDFYRYTLGYLFQNFALLENQTISQNLDLALKFKKNKKDNMNLKKEVLKKVGLDLDIKRIVSSLSGGEQQRVALARLILKDPKIILADEPTGSLDTKNGKIVIDLLLKLLDENKTMIVVTHDLELAKRFDVIVNISELRS
Complex: ADP_A_5(2Q0H) / Model_12(2Q0H/A) = [4.4] Download1001.31-2.27MIKLENVFVKKGNKNILDGCNFNFEKGKSYALVGESGAGKSTLLNIIAGFEDVSQGSIYIEDKLLKKKVDFYRYTLGYLFQNFALLENQTISQNLDLALKFKKNKKDNMNLKKEVLKKVGLDLDIKRIVSSLSGGEQQRVALARLILKDPKIILADEPTGSLDTKNGKIVIDLLLKLLDENKTMIVVTHDLELAKRFDVIVNISELRS
Complex: AT4_B_6(2OLK) / Model_36(2OLK/B) = [4.4] Download708.55-0.06MIKLENVFVKKGNKNILDGCNFNFEKGKSYALVGESGAGKSTLLNIIAGFEDVSQGSIYIEDKLLKKKVDFYRYTLGYLFQNFALLENQTISQNLDLALKFKKNKKDNMNLKKEVLKKVGLDLDIKRIVSSLSGGEQQRVALARLILKDPKIILADEPTGSLDTKNGKIVIDLLLKLLDENKTMIVVTHDLELAKRFDVIVNISELRS
Complex: ADP_A_3(1F3O) / Model_6(1F3O/A) = [4.6] Download796.0810.75MIKLENVFVKKGNKNILDGCNFNFEKGKSYALVGESGAGKSTLLNIIAGFEDVSQGSIYIEDKLLKKKVDFYRYTLGYLFQNFALLENQTISQNLDLALKFKKNKKDNMNLKKEVLKKVGLDLDIKRIVSSLSGGEQQRVALARLILKDPKIILADEPTGSLDTKNGKIVIDLLLKLLDENKTMIVVTHDLELAKRFDVIVNISELRS
Consensus
[pKd Mean = 4.34]
-977
(s=231)
2
(s=4)
MIKLENVFVKKGNKNILDGCNFNFEKGKSYALVGESGAGKSTLLNIIAGFEDVSQGSIYIEDKLLKKKVDFYRYTLGYLFQNFALLENQTISQNLDLALKFKKNKKDNMNLKKEVLKKVGLDLDIKRIVSSLSGGEQQRVALARLILKDPKIILADEPTGSLDTKNGKIVIDLLLKLLDENKTMIVVTHDLELAKRFDVIVNISELRS