Study : gbs1773 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: FMN_D_10(3A6R) / Model_26(3A6R/D) = [8.3] Download987.4842.72MLNHKFLQVLKYEGVVSITSWTELAPHVTNTWNSYLTITDDQRILAPAAGMTHLENDLNNNSKIIMTLGSREVEGRDGYQGTGFRIEGTAKLLEAGSDFEIVKKKYPFLRKVLEVTPINVIQLL
Complex: FMN_B_5(3AMF) / Model_33(3AMF/B) = [8.3] Download1218.5141.47MLNHKFLQVLKYEGVVSITSWTELAPHVTNTWNSYLTITDDQRILAPAAGMTHLENDLNNNSKIIMTLGSREVEGRDGYQGTGFRIEGTAKLLEAGSDFEIVKKKYPFLRKVLEVTPINVIQLL
Complex: FMN_B_5(3AWH) / Model_30(3AWH/B) = [8.4] Download741.8544.67MLNHKFLQVLKYEGVVSITSWTELAPHVTNTWNSYLTITDDQRILAPAAGMTHLENDLNNNSKIIMTLGSREVEGRDGYQGTGFRIEGTAKLLEAGSDFEIVKKKYPFLRKVLEVTPINVIQLL
Complex: FMN_B_5(3A6Q) / Model_35(3A6Q/B) = [8.4] Download888.2644.47MLNHKFLQVLKYEGVVSITSWTELAPHVTNTWNSYLTITDDQRILAPAAGMTHLENDLNNNSKIIMTLGSREVEGRDGYQGTGFRIEGTAKLLEAGSDFEIVKKKYPFLRKVLEVTPINVIQLL
Complex: FMN_B_4(1FLM) / Model_21(1FLM/B) = [8.6] Download1058.1044.47MLNHKFLQVLKYEGVVSITSWTELAPHVTNTWNSYLTITDDQRILAPAAGMTHLENDLNNNSKIIMTLGSREVEGRDGYQGTGFRIEGTAKLLEAGSDFEIVKKKYPFLRKVLEVTPINVIQLL
Consensus
[pKd Mean = 8.40]
-978
(s=160)
43
(s=1)
MLNHKFLQVLKYEGVVSITSWTELAPHVTNTWNSYLTITDDQRILAPAAGMTHLENDLNNNSKIIMTLGSREVEGRDGYQGTGFRIEGTAKLLEAGSDFEIVKKKYPFLRKVLEVTPINVIQLL