Study : jhp_0202 (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: CBQ_B_7(1T1S) / Model_45(1T1S/B) = [3.1] Download808.244.96MVVLGSTGSIGKNALKIAKKFGVKIEALSCGKNIALINEQIKVFKPKKVAILDPNDLNNLEPLGAEVFVGLDGIDAMIEECVSNLVINAIVGVAGLKASFKSLQRNKKLALANKESLVSAGHLLDISQITPVDSEHFGLWALLQNKTLKPKSLIISASGGAFRDTPLDLIAIQNAQNALKHPNWSMGDKITIDSASMVNKLFEILETYWLFGASLKIDALIERSSIVHALVEFEDNSVIAHLASADMQLPISYAINPKLASLSASIKPLDLYALSAIKFEPISVERYTLWRYKDLLLENPKLGVVLNASNEVAMKKFLNQEIAFGGFIQIISQALELYAKKSFKLSSLDEVLALDKEVRERFGSVARV
Complex: FOM_B_6(1ONP) / Model_49(1ONP/B) = [3.2] Download442.899.10MVVLGSTGSIGKNALKIAKKFGVKIEALSCGKNIALINEQIKVFKPKKVAILDPNDLNNLEPLGAEVFVGLDGIDAMIEECVSNLVINAIVGVAGLKASFKSLQRNKKLALANKESLVSAGHLLDISQITPVDSEHFGLWALLQNKTLKPKSLIISASGGAFRDTPLDLIAIQNAQNALKHPNWSMGDKITIDSASMVNKLFEILETYWLFGASLKIDALIERSSIVHALVEFEDNSVIAHLASADMQLPISYAINPKLASLSASIKPLDLYALSAIKFEPISVERYTLWRYKDLLLENPKLGVVLNASNEVAMKKFLNQEIAFGGFIQIISQALELYAKKSFKLSSLDEVLALDKEVRERFGSVARV
Complex: C0K_B_6(3R0I) / Model_43(3R0I/B) = [3.6] Download1245.164.75MVVLGSTGSIGKNALKIAKKFGVKIEALSCGKNIALINEQIKVFKPKKVAILDPNDLNNLEPLGAEVFVGLDGIDAMIEECVSNLVINAIVGVAGLKASFKSLQRNKKLALANKESLVSAGHLLDISQITPVDSEHFGLWALLQNKTLKPKSLIISASGGAFRDTPLDLIAIQNAQNALKHPNWSMGDKITIDSASMVNKLFEILETYWLFGASLKIDALIERSSIVHALVEFEDNSVIAHLASADMQLPISYAINPKLASLSASIKPLDLYALSAIKFEPISVERYTLWRYKDLLLENPKLGVVLNASNEVAMKKFLNQEIAFGGFIQIISQALELYAKKSFKLSSLDEVLALDKEVRERFGSVARV
Complex: IMB_F_6(1T1R) / Model_48(1T1R/A) = [3.6] Download965.134.23MVVLGSTGSIGKNALKIAKKFGVKIEALSCGKNIALINEQIKVFKPKKVAILDPNDLNNLEPLGAEVFVGLDGIDAMIEECVSNLVINAIVGVAGLKASFKSLQRNKKLALANKESLVSAGHLLDISQITPVDSEHFGLWALLQNKTLKPKSLIISASGGAFRDTPLDLIAIQNAQNALKHPNWSMGDKITIDSASMVNKLFEILETYWLFGASLKIDALIERSSIVHALVEFEDNSVIAHLASADMQLPISYAINPKLASLSASIKPLDLYALSAIKFEPISVERYTLWRYKDLLLENPKLGVVLNASNEVAMKKFLNQEIAFGGFIQIISQALELYAKKSFKLSSLDEVLALDKEVRERFGSVARV
Complex: C0K_A_4(3R0I) / Model_20(3R0I/A) = [3.7] Download1032.734.75MVVLGSTGSIGKNALKIAKKFGVKIEALSCGKNIALINEQIKVFKPKKVAILDPNDLNNLEPLGAEVFVGLDGIDAMIEECVSNLVINAIVGVAGLKASFKSLQRNKKLALANKESLVSAGHLLDISQITPVDSEHFGLWALLQNKTLKPKSLIISASGGAFRDTPLDLIAIQNAQNALKHPNWSMGDKITIDSASMVNKLFEILETYWLFGASLKIDALIERSSIVHALVEFEDNSVIAHLASADMQLPISYAINPKLASLSASIKPLDLYALSAIKFEPISVERYTLWRYKDLLLENPKLGVVLNASNEVAMKKFLNQEIAFGGFIQIISQALELYAKKSFKLSSLDEVLALDKEVRERFGSVARV
Consensus
[pKd Mean = 3.44]
-898
(s=267)
5
(s=1)
MVVLGSTGSIGKNALKIAKKFGVKIEALSCGKNIALINEQIKVFKPKKVAILDPNDLNNLEPLGAEVFVGLDGIDAMIEECVSNLVINAIVGVAGLKASFKSLQRNKKLALANKESLVSAGHLLDISQITPVDSEHFGLWALLQNKTLKPKSLIISASGGAFRDTPLDLIAIQNAQNALKHPNWSMGDKITIDSASMVNKLFEILETYWLFGASLKIDALIERSSIVHALVEFEDNSVIAHLASADMQLPISYAINPKLASLSASIKPLDLYALSAIKFEPISVERYTLWRYKDLLLENPKLGVVLNASNEVAMKKFLNQEIAFGGFIQIISQALELYAKKSFKLSSLDEVLALDKEVRERFGSVARV