Study : D2Q2Q9_KRIFD (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: EDO_A_16(3CSV) / Model_68(3CSV/A) = [3.1] Download524.4815.67MAAPAQSEQMRRLAGLLGVKLDPFSTGGESLTFGITGTELLVTIPTEPGEQDVQRQAELTRRVADRISIPVPEIVRVVAEAEAVVVRRLPGVPLIAVPTPQRAALTRSVALAVGTVLAELHTWDRDGYADLAPVDEYSPEEWRAETAELVSDLTPLLTTDQRDDVRRFLGRPAPRPAGRHVLSHNDLGIEHILVSPDAVTGVIDWNDAAITDPAYDFGLLLRDLGPEALRTALARYAHQIGGDPELLERASYYAVCALLEDLAFGHETGRVEYVAKSLHGWRWTFQAAG
Complex: EDO_A_16(3CSV) / Model_36(3CSV/A) = [3.1] Download757.977.75MAAPAQSEQMRRLAGLLGVKLDPFSTGGESLTFGITGTELLVTIPTEPGEQDVQRQAELTRRVADRISIPVPEIVRVVAEAEAVVVRRLPGVPLIAVPTPQRAALTRSVALAVGTVLAELHTWDRDGYADLAPVDEYSPEEWRAETAELVSDLTPLLTTDQRDDVRRFLGRPAPRPAGRHVLSHNDLGIEHILVSPDAVTGVIDWNDAAITDPAYDFGLLLRDLGPEALRTALARYAHQIGGDPELLERASYYAVCALLEDLAFGHETGRVEYVAKSLHGWRWTFQAAG
Complex: 51G_A_6(5IQC) / Model_62(5IQC/A) = [3.2] Download2301.54-3.00MAAPAQSEQMRRLAGLLGVKLDPFSTGGESLTFGITGTELLVTIPTEPGEQDVQRQAELTRRVADRISIPVPEIVRVVAEAEAVVVRRLPGVPLIAVPTPQRAALTRSVALAVGTVLAELHTWDRDGYADLAPVDEYSPEEWRAETAELVSDLTPLLTTDQRDDVRRFLGRPAPRPAGRHVLSHNDLGIEHILVSPDAVTGVIDWNDAAITDPAYDFGLLLRDLGPEALRTALARYAHQIGGDPELLERASYYAVCALLEDLAFGHETGRVEYVAKSLHGWRWTFQAAG
Complex: GMP_A_2(5IGI) / Model_61(5IGI/A) = [3.4] Download1560.9611.83MAAPAQSEQMRRLAGLLGVKLDPFSTGGESLTFGITGTELLVTIPTEPGEQDVQRQAELTRRVADRISIPVPEIVRVVAEAEAVVVRRLPGVPLIAVPTPQRAALTRSVALAVGTVLAELHTWDRDGYADLAPVDEYSPEEWRAETAELVSDLTPLLTTDQRDDVRRFLGRPAPRPAGRHVLSHNDLGIEHILVSPDAVTGVIDWNDAAITDPAYDFGLLLRDLGPEALRTALARYAHQIGGDPELLERASYYAVCALLEDLAFGHETGRVEYVAKSLHGWRWTFQAAG
Complex: ADP_A_6(2OLC) / Model_35(2OLC/A) = [3.5] Download1353.6725.27MAAPAQSEQMRRLAGLLGVKLDPFSTGGESLTFGITGTELLVTIPTEPGEQDVQRQAELTRRVADRISIPVPEIVRVVAEAEAVVVRRLPGVPLIAVPTPQRAALTRSVALAVGTVLAELHTWDRDGYADLAPVDEYSPEEWRAETAELVSDLTPLLTTDQRDDVRRFLGRPAPRPAGRHVLSHNDLGIEHILVSPDAVTGVIDWNDAAITDPAYDFGLLLRDLGPEALRTALARYAHQIGGDPELLERASYYAVCALLEDLAFGHETGRVEYVAKSLHGWRWTFQAAG
Consensus
[pKd Mean = 3.26]
-1299
(s=627)
11
(s=9)
MAAPAQSEQMRRLAGLLGVKLDPFSTGGESLTFGITGTELLVTIPTEPGEQDVQRQAELTRRVADRISIPVPEIVRVVAEAEAVVVRRLPGVPLIAVPTPQRAALTRSVALAVGTVLAELHTWDRDGYADLAPVDEYSPEEWRAETAELVSDLTPLLTTDQRDDVRRFLGRPAPRPAGRHVLSHNDLGIEHILVSPDAVTGVIDWNDAAITDPAYDFGLLLRDLGPEALRTALARYAHQIGGDPELLERASYYAVCALLEDLAFGHETGRVEYVAKSLHGWRWTFQAAG