Study : bsu07260 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: GP9_A_4(2W5T) / Model_3(2W5T/A) = [3.4] Download409.627.67MKKLFSYKLSFFVLAVILFWAKTYLSYKTEFNLGVKGTTQEILLIFNPFSSAVFFLGLALLAKGRKSAIIMLIIDFLMTFVLYANILFYRFFDDFLTFPNIKQSGNVGNMGDGIFSIMAGHDIFYFLDIIILIAVLIWRPELKEYKMKKRFASLVILSGIALFFINLHYAEKDRPQLLTRTFDRNYIVKYLGLYNYTIYDGVQTAQTETQRAYASSDDLTSVENYTTSHYAKPNAEYFGSAKGKNIIKIHLESFQSFLIDYKLNGEEVTPFLNKLAHGGEDVTYFDNFFHQTGQGKTSDAELTMDNSIFGLPEGSAFVTKGENTYQSLPAILDQKEGYTSAVLHGDYKSFWNRDQIYKHIGYDKFFDASTYDMSDENVINMGLKDKPFFTESIPKLESLKQPFYAHLITLTNHYPFNLDEKDASLKKATTGDNTVDSYFQTARYLDEALEQFFKELKEAGLYDNSVIMIYGDHNGISENHNRAMKEILGKEITDYQNAQNQRVPLMIRVPGKKGGVNHTYGGEIDVMPTLLHLEGIDSQKYINFGTDLFSKDHDDTVAFRNGDFVTPKYTSVDNIIYDTKTGEKLKANEETKNLKTRVNQQLSLSDSVLYKDLLRFHKLNDFKAVDPSDYHYGKEKEIK
Complex: GP9_A_4(2W5R) / Model_4(2W5R/A) = [3.5] Download332.937.67MKKLFSYKLSFFVLAVILFWAKTYLSYKTEFNLGVKGTTQEILLIFNPFSSAVFFLGLALLAKGRKSAIIMLIIDFLMTFVLYANILFYRFFDDFLTFPNIKQSGNVGNMGDGIFSIMAGHDIFYFLDIIILIAVLIWRPELKEYKMKKRFASLVILSGIALFFINLHYAEKDRPQLLTRTFDRNYIVKYLGLYNYTIYDGVQTAQTETQRAYASSDDLTSVENYTTSHYAKPNAEYFGSAKGKNIIKIHLESFQSFLIDYKLNGEEVTPFLNKLAHGGEDVTYFDNFFHQTGQGKTSDAELTMDNSIFGLPEGSAFVTKGENTYQSLPAILDQKEGYTSAVLHGDYKSFWNRDQIYKHIGYDKFFDASTYDMSDENVINMGLKDKPFFTESIPKLESLKQPFYAHLITLTNHYPFNLDEKDASLKKATTGDNTVDSYFQTARYLDEALEQFFKELKEAGLYDNSVIMIYGDHNGISENHNRAMKEILGKEITDYQNAQNQRVPLMIRVPGKKGGVNHTYGGEIDVMPTLLHLEGIDSQKYINFGTDLFSKDHDDTVAFRNGDFVTPKYTSVDNIIYDTKTGEKLKANEETKNLKTRVNQQLSLSDSVLYKDLLRFHKLNDFKAVDPSDYHYGKEKEIK
Complex: GP9_A_4(2W5S) / Model_2(2W5S/A) = [3.8] Download293.467.67MKKLFSYKLSFFVLAVILFWAKTYLSYKTEFNLGVKGTTQEILLIFNPFSSAVFFLGLALLAKGRKSAIIMLIIDFLMTFVLYANILFYRFFDDFLTFPNIKQSGNVGNMGDGIFSIMAGHDIFYFLDIIILIAVLIWRPELKEYKMKKRFASLVILSGIALFFINLHYAEKDRPQLLTRTFDRNYIVKYLGLYNYTIYDGVQTAQTETQRAYASSDDLTSVENYTTSHYAKPNAEYFGSAKGKNIIKIHLESFQSFLIDYKLNGEEVTPFLNKLAHGGEDVTYFDNFFHQTGQGKTSDAELTMDNSIFGLPEGSAFVTKGENTYQSLPAILDQKEGYTSAVLHGDYKSFWNRDQIYKHIGYDKFFDASTYDMSDENVINMGLKDKPFFTESIPKLESLKQPFYAHLITLTNHYPFNLDEKDASLKKATTGDNTVDSYFQTARYLDEALEQFFKELKEAGLYDNSVIMIYGDHNGISENHNRAMKEILGKEITDYQNAQNQRVPLMIRVPGKKGGVNHTYGGEIDVMPTLLHLEGIDSQKYINFGTDLFSKDHDDTVAFRNGDFVTPKYTSVDNIIYDTKTGEKLKANEETKNLKTRVNQQLSLSDSVLYKDLLRFHKLNDFKAVDPSDYHYGKEKEIK
Consensus
[pKd Mean = 3.57]		-345
(s=48)		7
(s=0)		MKKLFSYKLSFFVLAVILFWAKTYLSYKTEFNLGVKGTTQEILLIFNPFSSAVFFLGLALLAKGRKSAIIMLIIDFLMTFVLYANILFYRFFDDFLTFPNIKQSGNVGNMGDGIFSIMAGHDIFYFLDIIILIAVLIWRPELKEYKMKKRFASLVILSGIALFFINLHYAEKDRPQLLTRTFDRNYIVKYLGLYNYTIYDGVQTAQTETQRAYASSDDLTSVENYTTSHYAKPNAEYFGSAKGKNIIKIHLESFQSFLIDYKLNGEEVTPFLNKLAHGGEDVTYFDNFFHQTGQGKTSDAELTMDNSIFGLPEGSAFVTKGENTYQSLPAILDQKEGYTSAVLHGDYKSFWNRDQIYKHIGYDKFFDASTYDMSDENVINMGLKDKPFFTESIPKLESLKQPFYAHLITLTNHYPFNLDEKDASLKKATTGDNTVDSYFQTARYLDEALEQFFKELKEAGLYDNSVIMIYGDHNGISENHNRAMKEILGKEITDYQNAQNQRVPLMIRVPGKKGGVNHTYGGEIDVMPTLLHLEGIDSQKYINFGTDLFSKDHDDTVAFRNGDFVTPKYTSVDNIIYDTKTGEKLKANEETKNLKTRVNQQLSLSDSVLYKDLLRFHKLNDFKAVDPSDYHYGKEKEIK