Study : Rv3436c (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: BG6_A_3(2PUW) / Model_18(2PUW/A) = [3.2] Download674.2618.32MCGIVGYVGRRPAYVVVMDALRRMEYRGYDSSGIALVDGGTLTVRRRAGRLANLEEAVAEMPSTALSGTTGLGHTRWATHGRPTDRNAHPHRDAAGKIAVVHNGIIENFAVLRRELETAGVEFASDTDTEVAAHLVARAYRHGETADDFVGSVLAVLRRLEGHFTLVFANADDPGTLVAARRSTPLVLGIGDNEMFVGSDVAAFIEHTREAVELGQDQAVVITADGYRISDFDGNDGLQAGRDFRPFHIDWDLAAAEKGGYEYFMLKEIAEQPAAVADTLLGHFVGGRIVLDEQRLSDQELREIDKVFVVACGTAYHSGLLAKYAIEHWTRLPVEVELASEFRYRDPVLDRSTLVVAISQSGETADTLEAVRHAKEQKAKVLAICNTNGSQIPRECDAVLYTRAGPEIGVASTKTFLAQIAANYLLGLALAQARGTKYPDEVEREYHELEAMPDLVARVIAATGPVAELAHRFAQSSTVLFLGRHVGYPVALEGALKLKELAYMHAEGFAAGELKHGPIALIEDGLPVIVVMPSPKGSATLHAKLLSNIREIQTRGAVTIVIAEEGDETVRPYADHLIEIPAVSTLLQPLLSTIPLQVFAASVARARGYDVDKPRNLAKSVTVE
Complex: G6P_A_2(2ZJ3) / Model_59(2ZJ3/A) = [3.5] Download682.1930.73MCGIVGYVGRRPAYVVVMDALRRMEYRGYDSSGIALVDGGTLTVRRRAGRLANLEEAVAEMPSTALSGTTGLGHTRWATHGRPTDRNAHPHRDAAGKIAVVHNGIIENFAVLRRELETAGVEFASDTDTEVAAHLVARAYRHGETADDFVGSVLAVLRRLEGHFTLVFANADDPGTLVAARRSTPLVLGIGDNEMFVGSDVAAFIEHTREAVELGQDQAVVITADGYRISDFDGNDGLQAGRDFRPFHIDWDLAAAEKGGYEYFMLKEIAEQPAAVADTLLGHFVGGRIVLDEQRLSDQELREIDKVFVVACGTAYHSGLLAKYAIEHWTRLPVEVELASEFRYRDPVLDRSTLVVAISQSGETADTLEAVRHAKEQKAKVLAICNTNGSQIPRECDAVLYTRAGPEIGVASTKTFLAQIAANYLLGLALAQARGTKYPDEVEREYHELEAMPDLVARVIAATGPVAELAHRFAQSSTVLFLGRHVGYPVALEGALKLKELAYMHAEGFAAGELKHGPIALIEDGLPVIVVMPSPKGSATLHAKLLSNIREIQTRGAVTIVIAEEGDETVRPYADHLIEIPAVSTLLQPLLSTIPLQVFAASVARARGYDVDKPRNLAKSVTVE
Complex: G6P_A_2(2ZJ3) / Model_12(2ZJ3/A) = [3.5] Download645.8130.73MCGIVGYVGRRPAYVVVMDALRRMEYRGYDSSGIALVDGGTLTVRRRAGRLANLEEAVAEMPSTALSGTTGLGHTRWATHGRPTDRNAHPHRDAAGKIAVVHNGIIENFAVLRRELETAGVEFASDTDTEVAAHLVARAYRHGETADDFVGSVLAVLRRLEGHFTLVFANADDPGTLVAARRSTPLVLGIGDNEMFVGSDVAAFIEHTREAVELGQDQAVVITADGYRISDFDGNDGLQAGRDFRPFHIDWDLAAAEKGGYEYFMLKEIAEQPAAVADTLLGHFVGGRIVLDEQRLSDQELREIDKVFVVACGTAYHSGLLAKYAIEHWTRLPVEVELASEFRYRDPVLDRSTLVVAISQSGETADTLEAVRHAKEQKAKVLAICNTNGSQIPRECDAVLYTRAGPEIGVASTKTFLAQIAANYLLGLALAQARGTKYPDEVEREYHELEAMPDLVARVIAATGPVAELAHRFAQSSTVLFLGRHVGYPVALEGALKLKELAYMHAEGFAAGELKHGPIALIEDGLPVIVVMPSPKGSATLHAKLLSNIREIQTRGAVTIVIAEEGDETVRPYADHLIEIPAVSTLLQPLLSTIPLQVFAASVARARGYDVDKPRNLAKSVTVE
Complex: G6Q_A_3(2J6H) / Model_3(2J6H/A) = [3.5] Download573.2723.33MCGIVGYVGRRPAYVVVMDALRRMEYRGYDSSGIALVDGGTLTVRRRAGRLANLEEAVAEMPSTALSGTTGLGHTRWATHGRPTDRNAHPHRDAAGKIAVVHNGIIENFAVLRRELETAGVEFASDTDTEVAAHLVARAYRHGETADDFVGSVLAVLRRLEGHFTLVFANADDPGTLVAARRSTPLVLGIGDNEMFVGSDVAAFIEHTREAVELGQDQAVVITADGYRISDFDGNDGLQAGRDFRPFHIDWDLAAAEKGGYEYFMLKEIAEQPAAVADTLLGHFVGGRIVLDEQRLSDQELREIDKVFVVACGTAYHSGLLAKYAIEHWTRLPVEVELASEFRYRDPVLDRSTLVVAISQSGETADTLEAVRHAKEQKAKVLAICNTNGSQIPRECDAVLYTRAGPEIGVASTKTFLAQIAANYLLGLALAQARGTKYPDEVEREYHELEAMPDLVARVIAATGPVAELAHRFAQSSTVLFLGRHVGYPVALEGALKLKELAYMHAEGFAAGELKHGPIALIEDGLPVIVVMPSPKGSATLHAKLLSNIREIQTRGAVTIVIAEEGDETVRPYADHLIEIPAVSTLLQPLLSTIPLQVFAASVARARGYDVDKPRNLAKSVTVE
Complex: G6P_A_2(1MOR) / Model_9(1MOR/A) = [3.9] Download515.2430.73MCGIVGYVGRRPAYVVVMDALRRMEYRGYDSSGIALVDGGTLTVRRRAGRLANLEEAVAEMPSTALSGTTGLGHTRWATHGRPTDRNAHPHRDAAGKIAVVHNGIIENFAVLRRELETAGVEFASDTDTEVAAHLVARAYRHGETADDFVGSVLAVLRRLEGHFTLVFANADDPGTLVAARRSTPLVLGIGDNEMFVGSDVAAFIEHTREAVELGQDQAVVITADGYRISDFDGNDGLQAGRDFRPFHIDWDLAAAEKGGYEYFMLKEIAEQPAAVADTLLGHFVGGRIVLDEQRLSDQELREIDKVFVVACGTAYHSGLLAKYAIEHWTRLPVEVELASEFRYRDPVLDRSTLVVAISQSGETADTLEAVRHAKEQKAKVLAICNTNGSQIPRECDAVLYTRAGPEIGVASTKTFLAQIAANYLLGLALAQARGTKYPDEVEREYHELEAMPDLVARVIAATGPVAELAHRFAQSSTVLFLGRHVGYPVALEGALKLKELAYMHAEGFAAGELKHGPIALIEDGLPVIVVMPSPKGSATLHAKLLSNIREIQTRGAVTIVIAEEGDETVRPYADHLIEIPAVSTLLQPLLSTIPLQVFAASVARARGYDVDKPRNLAKSVTVE
Consensus
[pKd Mean = 3.52]
-618
(s=64)
26
(s=5)
MCGIVGYVGRRPAYVVVMDALRRMEYRGYDSSGIALVDGGTLTVRRRAGRLANLEEAVAEMPSTALSGTTGLGHTRWATHGRPTDRNAHPHRDAAGKIAVVHNGIIENFAVLRRELETAGVEFASDTDTEVAAHLVARAYRHGETADDFVGSVLAVLRRLEGHFTLVFANADDPGTLVAARRSTPLVLGIGDNEMFVGSDVAAFIEHTREAVELGQDQAVVITADGYRISDFDGNDGLQAGRDFRPFHIDWDLAAAEKGGYEYFMLKEIAEQPAAVADTLLGHFVGGRIVLDEQRLSDQELREIDKVFVVACGTAYHSGLLAKYAIEHWTRLPVEVELASEFRYRDPVLDRSTLVVAISQSGETADTLEAVRHAKEQKAKVLAICNTNGSQIPRECDAVLYTRAGPEIGVASTKTFLAQIAANYLLGLALAQARGTKYPDEVEREYHELEAMPDLVARVIAATGPVAELAHRFAQSSTVLFLGRHVGYPVALEGALKLKELAYMHAEGFAAGELKHGPIALIEDGLPVIVVMPSPKGSATLHAKLLSNIREIQTRGAVTIVIAEEGDETVRPYADHLIEIPAVSTLLQPLLSTIPLQVFAASVARARGYDVDKPRNLAKSVTVE