Study : Lmo2756 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: NACID_D_2(2O5C) / Model_22(2O5C/B) = [11.9] Download--MTKTLVLAEKPSVGKDIGRVLGAKQGKNGYLEGGKYVVTWALGHLVTLADPERYDSKYKNWNMEDLPMLPEKMKLEPIKQTRKQYETVKKLMNRTDITTIVIATDAGREGELVARWIIDYAKIKKPLKRLWISSVTDKAIREGFEHLKPGKAYENLYHSAVARSEADWVVGINATRALTTKYNAQLSCGRVQTPTLAMIQHREEEIRNFKSREYYGITALTEQESFTWNNGQTFDKALAEKLVKSLQGENAVITDVSMKEKKTFSPGLYDLTELQRDANNRYDFSAKETLNIMQTLYERHKVLTYPRTDSRFISTDIVPTLKERLVACGVGENAKAARQISVKPIKANKSFVDNSKVSDHHAIIPTEQPVSLGDLSDKERKIYDLVVKRFLAVLSDPYIYEETSVKAKIGQEEFTLKGKVVKSLGWKSIYGESREPDQLTKMKKGDTIPVKRINLETGKTKPPARFDEATLLSAMENPSKYMETTNKALAKTLGETGGLGTVATRADIIEKLFNSFSLEKQGKDIQITSKGRQLLELVPEDLKSPELTARWEQKLSKIAKGELDYRKFTAEMRDYAKKAVTEIKQNDKKFRHDNITSQKCPDCGKPMLKVKGKRGTMLVCQDRECGHRESVSRTTNARCPNCHKRMEMRGEGDKQIFVCVCGHREKLSAFQQRRDKQKNKNVSKTDVAKFMKKQNKQEDEPFNNPMAEALAKLKLDK
Complex: NACID_D_2(2O5E) / Model_21(2O5E/B) = [12.4] Download--MTKTLVLAEKPSVGKDIGRVLGAKQGKNGYLEGGKYVVTWALGHLVTLADPERYDSKYKNWNMEDLPMLPEKMKLEPIKQTRKQYETVKKLMNRTDITTIVIATDAGREGELVARWIIDYAKIKKPLKRLWISSVTDKAIREGFEHLKPGKAYENLYHSAVARSEADWVVGINATRALTTKYNAQLSCGRVQTPTLAMIQHREEEIRNFKSREYYGITALTEQESFTWNNGQTFDKALAEKLVKSLQGENAVITDVSMKEKKTFSPGLYDLTELQRDANNRYDFSAKETLNIMQTLYERHKVLTYPRTDSRFISTDIVPTLKERLVACGVGENAKAARQISVKPIKANKSFVDNSKVSDHHAIIPTEQPVSLGDLSDKERKIYDLVVKRFLAVLSDPYIYEETSVKAKIGQEEFTLKGKVVKSLGWKSIYGESREPDQLTKMKKGDTIPVKRINLETGKTKPPARFDEATLLSAMENPSKYMETTNKALAKTLGETGGLGTVATRADIIEKLFNSFSLEKQGKDIQITSKGRQLLELVPEDLKSPELTARWEQKLSKIAKGELDYRKFTAEMRDYAKKAVTEIKQNDKKFRHDNITSQKCPDCGKPMLKVKGKRGTMLVCQDRECGHRESVSRTTNARCPNCHKRMEMRGEGDKQIFVCVCGHREKLSAFQQRRDKQKNKNVSKTDVAKFMKKQNKQEDEPFNNPMAEALAKLKLDK
Complex: NACID_C_1(2O5C) / Model_5(2O5C/A) = [12.5] Download--MTKTLVLAEKPSVGKDIGRVLGAKQGKNGYLEGGKYVVTWALGHLVTLADPERYDSKYKNWNMEDLPMLPEKMKLEPIKQTRKQYETVKKLMNRTDITTIVIATDAGREGELVARWIIDYAKIKKPLKRLWISSVTDKAIREGFEHLKPGKAYENLYHSAVARSEADWVVGINATRALTTKYNAQLSCGRVQTPTLAMIQHREEEIRNFKSREYYGITALTEQESFTWNNGQTFDKALAEKLVKSLQGENAVITDVSMKEKKTFSPGLYDLTELQRDANNRYDFSAKETLNIMQTLYERHKVLTYPRTDSRFISTDIVPTLKERLVACGVGENAKAARQISVKPIKANKSFVDNSKVSDHHAIIPTEQPVSLGDLSDKERKIYDLVVKRFLAVLSDPYIYEETSVKAKIGQEEFTLKGKVVKSLGWKSIYGESREPDQLTKMKKGDTIPVKRINLETGKTKPPARFDEATLLSAMENPSKYMETTNKALAKTLGETGGLGTVATRADIIEKLFNSFSLEKQGKDIQITSKGRQLLELVPEDLKSPELTARWEQKLSKIAKGELDYRKFTAEMRDYAKKAVTEIKQNDKKFRHDNITSQKCPDCGKPMLKVKGKRGTMLVCQDRECGHRESVSRTTNARCPNCHKRMEMRGEGDKQIFVCVCGHREKLSAFQQRRDKQKNKNVSKTDVAKFMKKQNKQEDEPFNNPMAEALAKLKLDK
Complex: NACID_C_1(2O54) / Model_3(2O54/A) = [13.2] Download--MTKTLVLAEKPSVGKDIGRVLGAKQGKNGYLEGGKYVVTWALGHLVTLADPERYDSKYKNWNMEDLPMLPEKMKLEPIKQTRKQYETVKKLMNRTDITTIVIATDAGREGELVARWIIDYAKIKKPLKRLWISSVTDKAIREGFEHLKPGKAYENLYHSAVARSEADWVVGINATRALTTKYNAQLSCGRVQTPTLAMIQHREEEIRNFKSREYYGITALTEQESFTWNNGQTFDKALAEKLVKSLQGENAVITDVSMKEKKTFSPGLYDLTELQRDANNRYDFSAKETLNIMQTLYERHKVLTYPRTDSRFISTDIVPTLKERLVACGVGENAKAARQISVKPIKANKSFVDNSKVSDHHAIIPTEQPVSLGDLSDKERKIYDLVVKRFLAVLSDPYIYEETSVKAKIGQEEFTLKGKVVKSLGWKSIYGESREPDQLTKMKKGDTIPVKRINLETGKTKPPARFDEATLLSAMENPSKYMETTNKALAKTLGETGGLGTVATRADIIEKLFNSFSLEKQGKDIQITSKGRQLLELVPEDLKSPELTARWEQKLSKIAKGELDYRKFTAEMRDYAKKAVTEIKQNDKKFRHDNITSQKCPDCGKPMLKVKGKRGTMLVCQDRECGHRESVSRTTNARCPNCHKRMEMRGEGDKQIFVCVCGHREKLSAFQQRRDKQKNKNVSKTDVAKFMKKQNKQEDEPFNNPMAEALAKLKLDK
Complex: NACID_C_1(2O19) / Model_2(2O19/A) = [13.4] Download--MTKTLVLAEKPSVGKDIGRVLGAKQGKNGYLEGGKYVVTWALGHLVTLADPERYDSKYKNWNMEDLPMLPEKMKLEPIKQTRKQYETVKKLMNRTDITTIVIATDAGREGELVARWIIDYAKIKKPLKRLWISSVTDKAIREGFEHLKPGKAYENLYHSAVARSEADWVVGINATRALTTKYNAQLSCGRVQTPTLAMIQHREEEIRNFKSREYYGITALTEQESFTWNNGQTFDKALAEKLVKSLQGENAVITDVSMKEKKTFSPGLYDLTELQRDANNRYDFSAKETLNIMQTLYERHKVLTYPRTDSRFISTDIVPTLKERLVACGVGENAKAARQISVKPIKANKSFVDNSKVSDHHAIIPTEQPVSLGDLSDKERKIYDLVVKRFLAVLSDPYIYEETSVKAKIGQEEFTLKGKVVKSLGWKSIYGESREPDQLTKMKKGDTIPVKRINLETGKTKPPARFDEATLLSAMENPSKYMETTNKALAKTLGETGGLGTVATRADIIEKLFNSFSLEKQGKDIQITSKGRQLLELVPEDLKSPELTARWEQKLSKIAKGELDYRKFTAEMRDYAKKAVTEIKQNDKKFRHDNITSQKCPDCGKPMLKVKGKRGTMLVCQDRECGHRESVSRTTNARCPNCHKRMEMRGEGDKQIFVCVCGHREKLSAFQQRRDKQKNKNVSKTDVAKFMKKQNKQEDEPFNNPMAEALAKLKLDK
Consensus
[pKd Mean = 12.68]
-0
(s=0)
0
(s=0)
MTKTLVLAEKPSVGKDIGRVLGAKQGKNGYLEGGKYVVTWALGHLVTLADPERYDSKYKNWNMEDLPMLPEKMKLEPIKQTRKQYETVKKLMNRTDITTIVIATDAGREGELVARWIIDYAKIKKPLKRLWISSVTDKAIREGFEHLKPGKAYENLYHSAVARSEADWVVGINATRALTTKYNAQLSCGRVQTPTLAMIQHREEEIRNFKSREYYGITALTEQESFTWNNGQTFDKALAEKLVKSLQGENAVITDVSMKEKKTFSPGLYDLTELQRDANNRYDFSAKETLNIMQTLYERHKVLTYPRTDSRFISTDIVPTLKERLVACGVGENAKAARQISVKPIKANKSFVDNSKVSDHHAIIPTEQPVSLGDLSDKERKIYDLVVKRFLAVLSDPYIYEETSVKAKIGQEEFTLKGKVVKSLGWKSIYGESREPDQLTKMKKGDTIPVKRINLETGKTKPPARFDEATLLSAMENPSKYMETTNKALAKTLGETGGLGTVATRADIIEKLFNSFSLEKQGKDIQITSKGRQLLELVPEDLKSPELTARWEQKLSKIAKGELDYRKFTAEMRDYAKKAVTEIKQNDKKFRHDNITSQKCPDCGKPMLKVKGKRGTMLVCQDRECGHRESVSRTTNARCPNCHKRMEMRGEGDKQIFVCVCGHREKLSAFQQRRDKQKNKNVSKTDVAKFMKKQNKQEDEPFNNPMAEALAKLKLDK