Study : SA1351 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C8_S1
Complex: GGB_F_26(3LAP) / Model_8(3LAP/A) = [3.3] Download161.6512.00MPKKSVRHIKIREIISNEQIETQDELVKRLNDYDLNVTQATVSRDIKELQLIKVPIPSGQYVYSLPNDRKFHPLEKLGRYLMDSFVNIDGTDNLLVLKTLPGNAQSIGAILDQINWEEVLGTICGDDTCLIICRSKEASDEIKSRIFNLL
Complex: GGB_F_26(3LAP) / Model_73(3LAP/A) = [3.3] Download160.0112.00MPKKSVRHIKIREIISNEQIETQDELVKRLNDYDLNVTQATVSRDIKELQLIKVPIPSGQYVYSLPNDRKFHPLEKLGRYLMDSFVNIDGTDNLLVLKTLPGNAQSIGAILDQINWEEVLGTICGDDTCLIICRSKEASDEIKSRIFNLL
Complex: GGB_D_22(3LAP) / Model_28(3LAP/C) = [3.3] Download194.5112.00MPKKSVRHIKIREIISNEQIETQDELVKRLNDYDLNVTQATVSRDIKELQLIKVPIPSGQYVYSLPNDRKFHPLEKLGRYLMDSFVNIDGTDNLLVLKTLPGNAQSIGAILDQINWEEVLGTICGDDTCLIICRSKEASDEIKSRIFNLL
Complex: NACID_H_8(3LAJ) / Model_31(3LAJ/E) = [3.6] Download--MPKKSVRHIKIREIISNEQIETQDELVKRLNDYDLNVTQATVSRDIKELQLIKVPIPSGQYVYSLPNDRKFHPLEKLGRYLMDSFVNIDGTDNLLVLKTLPGNAQSIGAILDQINWEEVLGTICGDDTCLIICRSKEASDEIKSRIFNLL
Complex: ARG_B_4(2P5M) / Model_21(2P5M/C) = [3.8] Download2496.9411.37MPKKSVRHIKIREIISNEQIETQDELVKRLNDYDLNVTQATVSRDIKELQLIKVPIPSGQYVYSLPNDRKFHPLEKLGRYLMDSFVNIDGTDNLLVLKTLPGNAQSIGAILDQINWEEVLGTICGDDTCLIICRSKEASDEIKSRIFNLL
Consensus
[pKd Mean = 3.46]
-753
(s=1006)
11
(s=0)
MPKKSVRHIKIREIISNEQIETQDELVKRLNDYDLNVTQATVSRDIKELQLIKVPIPSGQYVYSLPNDRKFHPLEKLGRYLMDSFVNIDGTDNLLVLKTLPGNAQSIGAILDQINWEEVLGTICGDDTCLIICRSKEASDEIKSRIFNLL