Study : Rv3397c (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: SRT_A_3(4EA2) / Model_22(4EA2/A) = [3.1] Download926.13-5.42MTEIEQAYRITESITRTAARNFYYGIRLLPREKRAALSAVYALGRRIDDVADGELAPETKITELDAIRKSLDNIDDSSDPVLVALADAARRFPVPIAMFAELIDGARMEIDWTGCRDFDELIVYCRRGAGTIGKLCLSIFGPVSTATSRYAEQLGIALQQTNILRDVREDFLNGRIYLPRDELDRLGVRLRLDDTGALDDPDGRLAALLRFSADRAADWYSLGLRLIPHLDRRSAACCAAMSGIYRRQLALIRASPAVVYDRRISLSGLKKAQVAAAALASSVTCGPAHGPLPADLGSHPSH
Complex: TLA_A_2(3VJD) / Model_1(3VJD/A) = [3.8] Download876.27-12.58MTEIEQAYRITESITRTAARNFYYGIRLLPREKRAALSAVYALGRRIDDVADGELAPETKITELDAIRKSLDNIDDSSDPVLVALADAARRFPVPIAMFAELIDGARMEIDWTGCRDFDELIVYCRRGAGTIGKLCLSIFGPVSTATSRYAEQLGIALQQTNILRDVREDFLNGRIYLPRDELDRLGVRLRLDDTGALDDPDGRLAALLRFSADRAADWYSLGLRLIPHLDRRSAACCAAMSGIYRRQLALIRASPAVVYDRRISLSGLKKAQVAAAALASSVTCGPAHGPLPADLGSHPSH
Complex: POP_B_12(4EA0) / Model_23(4EA0/B) = [4.1] Download622.672.90MTEIEQAYRITESITRTAARNFYYGIRLLPREKRAALSAVYALGRRIDDVADGELAPETKITELDAIRKSLDNIDDSSDPVLVALADAARRFPVPIAMFAELIDGARMEIDWTGCRDFDELIVYCRRGAGTIGKLCLSIFGPVSTATSRYAEQLGIALQQTNILRDVREDFLNGRIYLPRDELDRLGVRLRLDDTGALDDPDGRLAALLRFSADRAADWYSLGLRLIPHLDRRSAACCAAMSGIYRRQLALIRASPAVVYDRRISLSGLKKAQVAAAALASSVTCGPAHGPLPADLGSHPSH
Complex: GGS_B_9(3AE0) / Model_25(3AE0/B) = [4.2] Download1872.3220.56MTEIEQAYRITESITRTAARNFYYGIRLLPREKRAALSAVYALGRRIDDVADGELAPETKITELDAIRKSLDNIDDSSDPVLVALADAARRFPVPIAMFAELIDGARMEIDWTGCRDFDELIVYCRRGAGTIGKLCLSIFGPVSTATSRYAEQLGIALQQTNILRDVREDFLNGRIYLPRDELDRLGVRLRLDDTGALDDPDGRLAALLRFSADRAADWYSLGLRLIPHLDRRSAACCAAMSGIYRRQLALIRASPAVVYDRRISLSGLKKAQVAAAALASSVTCGPAHGPLPADLGSHPSH
Complex: POP_A_6(4EA0) / Model_19(4EA0/A) = [4.4] Download554.746.23MTEIEQAYRITESITRTAARNFYYGIRLLPREKRAALSAVYALGRRIDDVADGELAPETKITELDAIRKSLDNIDDSSDPVLVALADAARRFPVPIAMFAELIDGARMEIDWTGCRDFDELIVYCRRGAGTIGKLCLSIFGPVSTATSRYAEQLGIALQQTNILRDVREDFLNGRIYLPRDELDRLGVRLRLDDTGALDDPDGRLAALLRFSADRAADWYSLGLRLIPHLDRRSAACCAAMSGIYRRQLALIRASPAVVYDRRISLSGLKKAQVAAAALASSVTCGPAHGPLPADLGSHPSH
Consensus
[pKd Mean = 3.92]
-970
(s=472)
2
(s=11)
MTEIEQAYRITESITRTAARNFYYGIRLLPREKRAALSAVYALGRRIDDVADGELAPETKITELDAIRKSLDNIDDSSDPVLVALADAARRFPVPIAMFAELIDGARMEIDWTGCRDFDELIVYCRRGAGTIGKLCLSIFGPVSTATSRYAEQLGIALQQTNILRDVREDFLNGRIYLPRDELDRLGVRLRLDDTGALDDPDGRLAALLRFSADRAADWYSLGLRLIPHLDRRSAACCAAMSGIYRRQLALIRASPAVVYDRRISLSGLKKAQVAAAALASSVTCGPAHGPLPADLGSHPSH