Study : PA1024 (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: FMN_B_2(2GJN) / Model_2(2GJN/A) = [8.9] Download860.9322.76MGVFRTRFTETFGVEHPIMQGGMQWVGRAEMAAAVANAGGLATLSALTQPSPEALAAEIARCRELTDRPFGVNLTLLPTQKPVPYAEYRAAIIEAGIRVVETAGNDPGEHIAEFRRHGVKVIHKCTAVRHALKAERLGVDAVSIDGFECAGHPGEDDIPGLVLLPAAANRLRVPIIASGGFADGRGLVAALALGADAINMGTRFLATRECPIHPAVKAAIRAADERSTDLIMRSLRNTARVARNAISQEVLAIEARGGAGYADIAALVSGQRGRQVYQQGDTDLGIWSAGMVQGLIDDEPACAELLRDIVEQARQLVRQRLEGMLAGV
Complex: FMN_B_2(2GJL) / Model_106(2GJL/A) = [9.3] Download966.3823.29MGVFRTRFTETFGVEHPIMQGGMQWVGRAEMAAAVANAGGLATLSALTQPSPEALAAEIARCRELTDRPFGVNLTLLPTQKPVPYAEYRAAIIEAGIRVVETAGNDPGEHIAEFRRHGVKVIHKCTAVRHALKAERLGVDAVSIDGFECAGHPGEDDIPGLVLLPAAANRLRVPIIASGGFADGRGLVAALALGADAINMGTRFLATRECPIHPAVKAAIRAADERSTDLIMRSLRNTARVARNAISQEVLAIEARGGAGYADIAALVSGQRGRQVYQQGDTDLGIWSAGMVQGLIDDEPACAELLRDIVEQARQLVRQRLEGMLAGV
Complex: FMN_B_2(2GJL) / Model_1(2GJL/A) = [9.3] Download1016.0223.29MGVFRTRFTETFGVEHPIMQGGMQWVGRAEMAAAVANAGGLATLSALTQPSPEALAAEIARCRELTDRPFGVNLTLLPTQKPVPYAEYRAAIIEAGIRVVETAGNDPGEHIAEFRRHGVKVIHKCTAVRHALKAERLGVDAVSIDGFECAGHPGEDDIPGLVLLPAAANRLRVPIIASGGFADGRGLVAALALGADAINMGTRFLATRECPIHPAVKAAIRAADERSTDLIMRSLRNTARVARNAISQEVLAIEARGGAGYADIAALVSGQRGRQVYQQGDTDLGIWSAGMVQGLIDDEPACAELLRDIVEQARQLVRQRLEGMLAGV
Complex: FMN_B_2(2GJL) / Model_116(2GJL/A) = [9.3] Download1024.7723.29MGVFRTRFTETFGVEHPIMQGGMQWVGRAEMAAAVANAGGLATLSALTQPSPEALAAEIARCRELTDRPFGVNLTLLPTQKPVPYAEYRAAIIEAGIRVVETAGNDPGEHIAEFRRHGVKVIHKCTAVRHALKAERLGVDAVSIDGFECAGHPGEDDIPGLVLLPAAANRLRVPIIASGGFADGRGLVAALALGADAINMGTRFLATRECPIHPAVKAAIRAADERSTDLIMRSLRNTARVARNAISQEVLAIEARGGAGYADIAALVSGQRGRQVYQQGDTDLGIWSAGMVQGLIDDEPACAELLRDIVEQARQLVRQRLEGMLAGV
Consensus
[pKd Mean = 9.20]
-967
(s=65)
23
(s=0)
MGVFRTRFTETFGVEHPIMQGGMQWVGRAEMAAAVANAGGLATLSALTQPSPEALAAEIARCRELTDRPFGVNLTLLPTQKPVPYAEYRAAIIEAGIRVVETAGNDPGEHIAEFRRHGVKVIHKCTAVRHALKAERLGVDAVSIDGFECAGHPGEDDIPGLVLLPAAANRLRVPIIASGGFADGRGLVAALALGADAINMGTRFLATRECPIHPAVKAAIRAADERSTDLIMRSLRNTARVARNAISQEVLAIEARGGAGYADIAALVSGQRGRQVYQQGDTDLGIWSAGMVQGLIDDEPACAELLRDIVEQARQLVRQRLEGMLAGV