Study : PA2003 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


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: MLA_A_3(3W8F) / Model_9(3W8F/A) = [3.1] Download258.3049.06MTLKGKTALVTGSTSGIGLGIALSLAEAGADLLLNGFGEVDAALAQVRARGVRAEHHPADLSSPEQIGELMAFAERTFGGVDILVNNAGIQYVAPVQEFPTERWDAIIAINLSSVFHTTRLALPGMLARGWGRIVNIASTHGLVASAGKSAYVAAKHGVLGLTKSVALETARTPVTCNAICPGWVLTPLVQKQIDARTAEGVSPEQAEHDLLAEKQPSLAFVTPEQLGGLTLFLCSEAADQVRGAAWNMDGGWVAQ
Complex: DXX_A_3(3W8D) / Model_7(3W8D/A) = [3.2] Download258.6145.88MTLKGKTALVTGSTSGIGLGIALSLAEAGADLLLNGFGEVDAALAQVRARGVRAEHHPADLSSPEQIGELMAFAERTFGGVDILVNNAGIQYVAPVQEFPTERWDAIIAINLSSVFHTTRLALPGMLARGWGRIVNIASTHGLVASAGKSAYVAAKHGVLGLTKSVALETARTPVTCNAICPGWVLTPLVQKQIDARTAEGVSPEQAEHDLLAEKQPSLAFVTPEQLGGLTLFLCSEAADQVRGAAWNMDGGWVAQ
Complex: 3HL_B_9(2ZTL) / Model_48(2ZTL/B) = [3.3] Download212.6849.06MTLKGKTALVTGSTSGIGLGIALSLAEAGADLLLNGFGEVDAALAQVRARGVRAEHHPADLSSPEQIGELMAFAERTFGGVDILVNNAGIQYVAPVQEFPTERWDAIIAINLSSVFHTTRLALPGMLARGWGRIVNIASTHGLVASAGKSAYVAAKHGVLGLTKSVALETARTPVTCNAICPGWVLTPLVQKQIDARTAEGVSPEQAEHDLLAEKQPSLAFVTPEQLGGLTLFLCSEAADQVRGAAWNMDGGWVAQ
Complex: 3HL_C_12(2ZTL) / Model_47(2ZTL/C) = [3.4] Download223.6649.06MTLKGKTALVTGSTSGIGLGIALSLAEAGADLLLNGFGEVDAALAQVRARGVRAEHHPADLSSPEQIGELMAFAERTFGGVDILVNNAGIQYVAPVQEFPTERWDAIIAINLSSVFHTTRLALPGMLARGWGRIVNIASTHGLVASAGKSAYVAAKHGVLGLTKSVALETARTPVTCNAICPGWVLTPLVQKQIDARTAEGVSPEQAEHDLLAEKQPSLAFVTPEQLGGLTLFLCSEAADQVRGAAWNMDGGWVAQ
Complex: 3HR_C_19(3VDR) / Model_31(3VDR/C) = [3.4] Download279.7151.88MTLKGKTALVTGSTSGIGLGIALSLAEAGADLLLNGFGEVDAALAQVRARGVRAEHHPADLSSPEQIGELMAFAERTFGGVDILVNNAGIQYVAPVQEFPTERWDAIIAINLSSVFHTTRLALPGMLARGWGRIVNIASTHGLVASAGKSAYVAAKHGVLGLTKSVALETARTPVTCNAICPGWVLTPLVQKQIDARTAEGVSPEQAEHDLLAEKQPSLAFVTPEQLGGLTLFLCSEAADQVRGAAWNMDGGWVAQ
Consensus
[pKd Mean = 3.28]
-246
(s=24)
48
(s=2)
MTLKGKTALVTGSTSGIGLGIALSLAEAGADLLLNGFGEVDAALAQVRARGVRAEHHPADLSSPEQIGELMAFAERTFGGVDILVNNAGIQYVAPVQEFPTERWDAIIAINLSSVFHTTRLALPGMLARGWGRIVNIASTHGLVASAGKSAYVAAKHGVLGLTKSVALETARTPVTCNAICPGWVLTPLVQKQIDARTAEGVSPEQAEHDLLAEKQPSLAFVTPEQLGGLTLFLCSEAADQVRGAAWNMDGGWVAQ