Study : SA0316 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: AMP_A_6(3A7A) / Model_3(3A7A/A) = [6.2] Download719.8325.59MYLIEPIRNGEYITDGAIALAMQVYVNQHIFLDEDILFPYYCDPKVEIGRFQNTAIEVNQDYIDKHSIQVVRRDTGGGAVYVDKGAVNMCCILEQDTSIYGDFQRFYQPAIKALHTLGATDVIQSGRNDLTLNGKKVSGAAMTLMNNRIYGGYSLLLDVNYEAMDKVLKPNRKKIASKGIKSVRARVGHLREALDEKYRDITIEEFKNLMVTQILGIDDIKEAKRYELTDADWEAIDELADKKYKNWDWNYGKSPKYEYNRSERLSSGTVDITISVEQNRIADCRIYGDFFGQGDIKDVEEALQGTKMTREDLMHQLKQLDIVYYFGNVTVESLVEMILS
Complex: LAQ_A_2(3A7R) / Model_4(3A7R/A) = [9.7] Download972.2325.52MYLIEPIRNGEYITDGAIALAMQVYVNQHIFLDEDILFPYYCDPKVEIGRFQNTAIEVNQDYIDKHSIQVVRRDTGGGAVYVDKGAVNMCCILEQDTSIYGDFQRFYQPAIKALHTLGATDVIQSGRNDLTLNGKKVSGAAMTLMNNRIYGGYSLLLDVNYEAMDKVLKPNRKKIASKGIKSVRARVGHLREALDEKYRDITIEEFKNLMVTQILGIDDIKEAKRYELTDADWEAIDELADKKYKNWDWNYGKSPKYEYNRSERLSSGTVDITISVEQNRIADCRIYGDFFGQGDIKDVEEALQGTKMTREDLMHQLKQLDIVYYFGNVTVESLVEMILS
Consensus
[pKd Mean = 7.95]
-846
(s=126)
25
(s=0)
MYLIEPIRNGEYITDGAIALAMQVYVNQHIFLDEDILFPYYCDPKVEIGRFQNTAIEVNQDYIDKHSIQVVRRDTGGGAVYVDKGAVNMCCILEQDTSIYGDFQRFYQPAIKALHTLGATDVIQSGRNDLTLNGKKVSGAAMTLMNNRIYGGYSLLLDVNYEAMDKVLKPNRKKIASKGIKSVRARVGHLREALDEKYRDITIEEFKNLMVTQILGIDDIKEAKRYELTDADWEAIDELADKKYKNWDWNYGKSPKYEYNRSERLSSGTVDITISVEQNRIADCRIYGDFFGQGDIKDVEEALQGTKMTREDLMHQLKQLDIVYYFGNVTVESLVEMILS