Study : Lmo0002 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: PHE_A_4(4K3L) / Model_15(4K3L/A) = [3.1] Download6656.0227.77MKFVIERDRLVQAVNEVTRAISARTTIPILTGIKIVVNDEGVTLTGSDSDISIEAFIPLIENDEVIVEVESFGGIVLQSKYFGDIVRRLPEENVEIEVTSNYQTNISSGQASFTLNGLDPMEYPKLPEVTDGKTIKIPINVLKNIVRQTVFAVSAIEVRPVLTGVNWIIKENKLSAVATDSHRLALREIPLETDIDEEYNIVIPGKSLSELNKLLDDASESIEMTLANNQILFKLKDLLFYSRLLEGSYPDTSRLIPTDTKSELVINSKAFLQAIDRASLLARENRNNVIKLMTLENGQVEVSSNSPEVGNVSENVFSQSFTGEEIKISFNGKYMMDALRAFEGDDIQISFSGTMRPFVLRPKDAANPNEILQLITPVRTY
Complex: 322_A_3(3D1G) / Model_10(3D1G/A) = [3.5] Download1349.9623.36MKFVIERDRLVQAVNEVTRAISARTTIPILTGIKIVVNDEGVTLTGSDSDISIEAFIPLIENDEVIVEVESFGGIVLQSKYFGDIVRRLPEENVEIEVTSNYQTNISSGQASFTLNGLDPMEYPKLPEVTDGKTIKIPINVLKNIVRQTVFAVSAIEVRPVLTGVNWIIKENKLSAVATDSHRLALREIPLETDIDEEYNIVIPGKSLSELNKLLDDASESIEMTLANNQILFKLKDLLFYSRLLEGSYPDTSRLIPTDTKSELVINSKAFLQAIDRASLLARENRNNVIKLMTLENGQVEVSSNSPEVGNVSENVFSQSFTGEEIKISFNGKYMMDALRAFEGDDIQISFSGTMRPFVLRPKDAANPNEILQLITPVRTY
Complex: LEU_A_3(4K3L) / Model_15(4K3L/A) = [3.7] Download10384.9317.36MKFVIERDRLVQAVNEVTRAISARTTIPILTGIKIVVNDEGVTLTGSDSDISIEAFIPLIENDEVIVEVESFGGIVLQSKYFGDIVRRLPEENVEIEVTSNYQTNISSGQASFTLNGLDPMEYPKLPEVTDGKTIKIPINVLKNIVRQTVFAVSAIEVRPVLTGVNWIIKENKLSAVATDSHRLALREIPLETDIDEEYNIVIPGKSLSELNKLLDDASESIEMTLANNQILFKLKDLLFYSRLLEGSYPDTSRLIPTDTKSELVINSKAFLQAIDRASLLARENRNNVIKLMTLENGQVEVSSNSPEVGNVSENVFSQSFTGEEIKISFNGKYMMDALRAFEGDDIQISFSGTMRPFVLRPKDAANPNEILQLITPVRTY
Complex: 743_A_3(3QSB) / Model_11(3QSB/A) = [5.4] Download1296.7528.27MKFVIERDRLVQAVNEVTRAISARTTIPILTGIKIVVNDEGVTLTGSDSDISIEAFIPLIENDEVIVEVESFGGIVLQSKYFGDIVRRLPEENVEIEVTSNYQTNISSGQASFTLNGLDPMEYPKLPEVTDGKTIKIPINVLKNIVRQTVFAVSAIEVRPVLTGVNWIIKENKLSAVATDSHRLALREIPLETDIDEEYNIVIPGKSLSELNKLLDDASESIEMTLANNQILFKLKDLLFYSRLLEGSYPDTSRLIPTDTKSELVINSKAFLQAIDRASLLARENRNNVIKLMTLENGQVEVSSNSPEVGNVSENVFSQSFTGEEIKISFNGKYMMDALRAFEGDDIQISFSGTMRPFVLRPKDAANPNEILQLITPVRTY
Consensus
[pKd Mean = 3.93]
-4921
(s=3832)
24
(s=4)
MKFVIERDRLVQAVNEVTRAISARTTIPILTGIKIVVNDEGVTLTGSDSDISIEAFIPLIENDEVIVEVESFGGIVLQSKYFGDIVRRLPEENVEIEVTSNYQTNISSGQASFTLNGLDPMEYPKLPEVTDGKTIKIPINVLKNIVRQTVFAVSAIEVRPVLTGVNWIIKENKLSAVATDSHRLALREIPLETDIDEEYNIVIPGKSLSELNKLLDDASESIEMTLANNQILFKLKDLLFYSRLLEGSYPDTSRLIPTDTKSELVINSKAFLQAIDRASLLARENRNNVIKLMTLENGQVEVSSNSPEVGNVSENVFSQSFTGEEIKISFNGKYMMDALRAFEGDDIQISFSGTMRPFVLRPKDAANPNEILQLITPVRTY