Study : Rv1350 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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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: EDO_A_7(4I08) / Model_18(4I08/A) = [3.1] Download523.8223.50MASLLNARTAVITGGAQGLGLAIGQRFVAEGARVVLGDVNLEATEVAAKRLGGDDVALAVRCDVTQADDVDILIRTAVERFGGLDVMVNNAGITRDATMRTMTEEQFDQVIAVHLKGTWNGTRLAAAIMRERKRGAIVNMSSVSGKVGMVGQTNYSAAKAGIVGMTKAAAKELAHLGIRVNAIAPGLIRSAMTEAMPQRIWDQKLAEVPMGRAGEPSEVASVAVFLASDLSSYMTGTVLDVTGGRFI
Complex: CAA_B_7(4NBU) / Model_23(4NBU/B) = [4.6] Download1574.8738.83MASLLNARTAVITGGAQGLGLAIGQRFVAEGARVVLGDVNLEATEVAAKRLGGDDVALAVRCDVTQADDVDILIRTAVERFGGLDVMVNNAGITRDATMRTMTEEQFDQVIAVHLKGTWNGTRLAAAIMRERKRGAIVNMSSVSGKVGMVGQTNYSAAKAGIVGMTKAAAKELAHLGIRVNAIAPGLIRSAMTEAMPQRIWDQKLAEVPMGRAGEPSEVASVAVFLASDLSSYMTGTVLDVTGGRFI
Complex: NAP_D_8(4DMM) / Model_68(4DMM/D) = [7.3] Download1804.8923.89MASLLNARTAVITGGAQGLGLAIGQRFVAEGARVVLGDVNLEATEVAAKRLGGDDVALAVRCDVTQADDVDILIRTAVERFGGLDVMVNNAGITRDATMRTMTEEQFDQVIAVHLKGTWNGTRLAAAIMRERKRGAIVNMSSVSGKVGMVGQTNYSAAKAGIVGMTKAAAKELAHLGIRVNAIAPGLIRSAMTEAMPQRIWDQKLAEVPMGRAGEPSEVASVAVFLASDLSSYMTGTVLDVTGGRFI
Complex: NAD_A_5(2CFC) / Model_126(2CFC/A) = [7.9] Download962.7828.31MASLLNARTAVITGGAQGLGLAIGQRFVAEGARVVLGDVNLEATEVAAKRLGGDDVALAVRCDVTQADDVDILIRTAVERFGGLDVMVNNAGITRDATMRTMTEEQFDQVIAVHLKGTWNGTRLAAAIMRERKRGAIVNMSSVSGKVGMVGQTNYSAAKAGIVGMTKAAAKELAHLGIRVNAIAPGLIRSAMTEAMPQRIWDQKLAEVPMGRAGEPSEVASVAVFLASDLSSYMTGTVLDVTGGRFI
Complex: NAP_C_7(4DMM) / Model_69(4DMM/C) = [9.7] Download1631.4928.51MASLLNARTAVITGGAQGLGLAIGQRFVAEGARVVLGDVNLEATEVAAKRLGGDDVALAVRCDVTQADDVDILIRTAVERFGGLDVMVNNAGITRDATMRTMTEEQFDQVIAVHLKGTWNGTRLAAAIMRERKRGAIVNMSSVSGKVGMVGQTNYSAAKAGIVGMTKAAAKELAHLGIRVNAIAPGLIRSAMTEAMPQRIWDQKLAEVPMGRAGEPSEVASVAVFLASDLSSYMTGTVLDVTGGRFI
Consensus
[pKd Mean = 6.52]
-1299
(s=480)
28
(s=5)
MASLLNARTAVITGGAQGLGLAIGQRFVAEGARVVLGDVNLEATEVAAKRLGGDDVALAVRCDVTQADDVDILIRTAVERFGGLDVMVNNAGITRDATMRTMTEEQFDQVIAVHLKGTWNGTRLAAAIMRERKRGAIVNMSSVSGKVGMVGQTNYSAAKAGIVGMTKAAAKELAHLGIRVNAIAPGLIRSAMTEAMPQRIWDQKLAEVPMGRAGEPSEVASVAVFLASDLSSYMTGTVLDVTGGRFI