Study : bsu24250 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C8_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C8_S1
Complex: ARG_B_4(2P5M) / Model_21(2P5M/C) = [3.8] Download2472.2811.47MNKGQRHIKIREIITSNEIETQDELVDMLKQDGYKVTQATVSRDIKELHLVKVPTNNGSYKYSLPADQRFNPLSKLKRALMDAFVKIDSASHMIVLKTMPGNAQAIGALMDNLDWDEMMGTICGDDTILIICRTPEDTEGVKNRLLELL
Complex: ARG_B_4(2P5M) / Model_66(2P5M/A) = [3.8] Download3155.2719.27MNKGQRHIKIREIITSNEIETQDELVDMLKQDGYKVTQATVSRDIKELHLVKVPTNNGSYKYSLPADQRFNPLSKLKRALMDAFVKIDSASHMIVLKTMPGNAQAIGALMDNLDWDEMMGTICGDDTILIICRTPEDTEGVKNRLLELL
Complex: ARG_B_4(2P5M) / Model_3(2P5M/A) = [3.9] Download3468.9619.58MNKGQRHIKIREIITSNEIETQDELVDMLKQDGYKVTQATVSRDIKELHLVKVPTNNGSYKYSLPADQRFNPLSKLKRALMDAFVKIDSASHMIVLKTMPGNAQAIGALMDNLDWDEMMGTICGDDTILIICRTPEDTEGVKNRLLELL
Complex: ARG_B_4(2P5M) / Model_22(2P5M/B) = [4.3] Download3590.0218.90MNKGQRHIKIREIITSNEIETQDELVDMLKQDGYKVTQATVSRDIKELHLVKVPTNNGSYKYSLPADQRFNPLSKLKRALMDAFVKIDSASHMIVLKTMPGNAQAIGALMDNLDWDEMMGTICGDDTILIICRTPEDTEGVKNRLLELL
Consensus
[pKd Mean = 3.95]
-3171
(s=433)
17
(s=3)
MNKGQRHIKIREIITSNEIETQDELVDMLKQDGYKVTQATVSRDIKELHLVKVPTNNGSYKYSLPADQRFNPLSKLKRALMDAFVKIDSASHMIVLKTMPGNAQAIGALMDNLDWDEMMGTICGDDTILIICRTPEDTEGVKNRLLELL