Study : K9DXJ0_9BURK (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: KAN_A_9(1ND4) / Model_8(1ND4/A) = [4.2] Download1656.44-12.75MNREEACRVVTVPESMSAALAGYAWARDRVGESGGAVYRLHGKPGAPDLYLKHGRHAVADAIGDEMTRLRWLAGRMPVPAVVHFDRSADEAWLLMTAVPGRTAYQLLQADPAQHDIVVDALARFLQRLHAIPTSACPFNSDHDYRLGLARSRIEAGLVDEDDFDEERAGWTARQVWDAMQALLPLAPDPVVTHGDYSLDNLLIVDGQVAGCIDAGRVGIADRYQDLAIAWNCLGEFGGSLQERFLRQYGIAAPDRRKLQFHLMLDELF
Complex: KAN_B_10(1ND4) / Model_29(1ND4/B) = [4.2] Download1972.17-12.75MNREEACRVVTVPESMSAALAGYAWARDRVGESGGAVYRLHGKPGAPDLYLKHGRHAVADAIGDEMTRLRWLAGRMPVPAVVHFDRSADEAWLLMTAVPGRTAYQLLQADPAQHDIVVDALARFLQRLHAIPTSACPFNSDHDYRLGLARSRIEAGLVDEDDFDEERAGWTARQVWDAMQALLPLAPDPVVTHGDYSLDNLLIVDGQVAGCIDAGRVGIADRYQDLAIAWNCLGEFGGSLQERFLRQYGIAAPDRRKLQFHLMLDELF
Complex: KAN_A_9(1ND4) / Model_32(1ND4/A) = [4.4] Download1408.54-11.36MNREEACRVVTVPESMSAALAGYAWARDRVGESGGAVYRLHGKPGAPDLYLKHGRHAVADAIGDEMTRLRWLAGRMPVPAVVHFDRSADEAWLLMTAVPGRTAYQLLQADPAQHDIVVDALARFLQRLHAIPTSACPFNSDHDYRLGLARSRIEAGLVDEDDFDEERAGWTARQVWDAMQALLPLAPDPVVTHGDYSLDNLLIVDGQVAGCIDAGRVGIADRYQDLAIAWNCLGEFGGSLQERFLRQYGIAAPDRRKLQFHLMLDELF
Complex: KAN_A_9(1ND4) / Model_52(1ND4/A) = [4.5] Download1320.32-10.29MNREEACRVVTVPESMSAALAGYAWARDRVGESGGAVYRLHGKPGAPDLYLKHGRHAVADAIGDEMTRLRWLAGRMPVPAVVHFDRSADEAWLLMTAVPGRTAYQLLQADPAQHDIVVDALARFLQRLHAIPTSACPFNSDHDYRLGLARSRIEAGLVDEDDFDEERAGWTARQVWDAMQALLPLAPDPVVTHGDYSLDNLLIVDGQVAGCIDAGRVGIADRYQDLAIAWNCLGEFGGSLQERFLRQYGIAAPDRRKLQFHLMLDELF
Complex: ATP_A_4(4EJ7) / Model_7(4EJ7/A) = [6.8] Download1092.0217.58MNREEACRVVTVPESMSAALAGYAWARDRVGESGGAVYRLHGKPGAPDLYLKHGRHAVADAIGDEMTRLRWLAGRMPVPAVVHFDRSADEAWLLMTAVPGRTAYQLLQADPAQHDIVVDALARFLQRLHAIPTSACPFNSDHDYRLGLARSRIEAGLVDEDDFDEERAGWTARQVWDAMQALLPLAPDPVVTHGDYSLDNLLIVDGQVAGCIDAGRVGIADRYQDLAIAWNCLGEFGGSLQERFLRQYGIAAPDRRKLQFHLMLDELF
Consensus
[pKd Mean = 4.82]
-1489
(s=301)
-5
(s=11)
MNREEACRVVTVPESMSAALAGYAWARDRVGESGGAVYRLHGKPGAPDLYLKHGRHAVADAIGDEMTRLRWLAGRMPVPAVVHFDRSADEAWLLMTAVPGRTAYQLLQADPAQHDIVVDALARFLQRLHAIPTSACPFNSDHDYRLGLARSRIEAGLVDEDDFDEERAGWTARQVWDAMQALLPLAPDPVVTHGDYSLDNLLIVDGQVAGCIDAGRVGIADRYQDLAIAWNCLGEFGGSLQERFLRQYGIAAPDRRKLQFHLMLDELF