Study : jhp_0405 (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: CHAIN_D_4(3QO6) / Model_14(3QO6/A) = [3.3] Download--MMKKTFFVSLALALSLNAGNIQIQNMPKVKERISVPSKEDTIYSYHDSIKDSIKAVVNISTEKKIKNNFIGGGVFNDPFFQQFFGDLGGMIPKERMERALGSGVIISKDGYIVTNNHVIDGADKIKVTIPGSNKEYSATLVGTDSESDLAVIRITKDNLPTIKFSDSNDILVGDLVFAIGNPFGVGESVTQGIVSALNKSGIGINSYENFIQTDASINPGNSGGALIDSRGGLVGINTAIISKTGGNHGIGFAIPSNMVKDIVTQLIKTGKIERGYLGVGLQDLSGDLQNSYDNKEGAVVISVEKDSPAKKAGILVWDLITEVNGKKVKNTNELRNLIGSMLPNQRVTLKVIRDKKERTFTLTLAERKNPNKKETISAQNGVQGQLNGLQVEDLTQKTKRSMRLSDDVQGVLVSQVNENSPAEQAGFRQGNIITKIEEVEVKSVADFNHALEKYKGKPKRFLVLDLNQGYRIILVK
Complex: DFP_A_2(3MH6) / Model_1(3MH6/A) = [3.6] Download575.9716.00MMKKTFFVSLALALSLNAGNIQIQNMPKVKERISVPSKEDTIYSYHDSIKDSIKAVVNISTEKKIKNNFIGGGVFNDPFFQQFFGDLGGMIPKERMERALGSGVIISKDGYIVTNNHVIDGADKIKVTIPGSNKEYSATLVGTDSESDLAVIRITKDNLPTIKFSDSNDILVGDLVFAIGNPFGVGESVTQGIVSALNKSGIGINSYENFIQTDASINPGNSGGALIDSRGGLVGINTAIISKTGGNHGIGFAIPSNMVKDIVTQLIKTGKIERGYLGVGLQDLSGDLQNSYDNKEGAVVISVEKDSPAKKAGILVWDLITEVNGKKVKNTNELRNLIGSMLPNQRVTLKVIRDKKERTFTLTLAERKNPNKKETISAQNGVQGQLNGLQVEDLTQKTKRSMRLSDDVQGVLVSQVNENSPAEQAGFRQGNIITKIEEVEVKSVADFNHALEKYKGKPKRFLVLDLNQGYRIILVK
Complex: CHAIN_D_4(3QO6) / Model_68(3QO6/A) = [3.7] Download--MMKKTFFVSLALALSLNAGNIQIQNMPKVKERISVPSKEDTIYSYHDSIKDSIKAVVNISTEKKIKNNFIGGGVFNDPFFQQFFGDLGGMIPKERMERALGSGVIISKDGYIVTNNHVIDGADKIKVTIPGSNKEYSATLVGTDSESDLAVIRITKDNLPTIKFSDSNDILVGDLVFAIGNPFGVGESVTQGIVSALNKSGIGINSYENFIQTDASINPGNSGGALIDSRGGLVGINTAIISKTGGNHGIGFAIPSNMVKDIVTQLIKTGKIERGYLGVGLQDLSGDLQNSYDNKEGAVVISVEKDSPAKKAGILVWDLITEVNGKKVKNTNELRNLIGSMLPNQRVTLKVIRDKKERTFTLTLAERKNPNKKETISAQNGVQGQLNGLQVEDLTQKTKRSMRLSDDVQGVLVSQVNENSPAEQAGFRQGNIITKIEEVEVKSVADFNHALEKYKGKPKRFLVLDLNQGYRIILVK
Complex: CHAIN_G_7(3PV3) / Model_22(3PV3/C) = [3.7] Download--MMKKTFFVSLALALSLNAGNIQIQNMPKVKERISVPSKEDTIYSYHDSIKDSIKAVVNISTEKKIKNNFIGGGVFNDPFFQQFFGDLGGMIPKERMERALGSGVIISKDGYIVTNNHVIDGADKIKVTIPGSNKEYSATLVGTDSESDLAVIRITKDNLPTIKFSDSNDILVGDLVFAIGNPFGVGESVTQGIVSALNKSGIGINSYENFIQTDASINPGNSGGALIDSRGGLVGINTAIISKTGGNHGIGFAIPSNMVKDIVTQLIKTGKIERGYLGVGLQDLSGDLQNSYDNKEGAVVISVEKDSPAKKAGILVWDLITEVNGKKVKNTNELRNLIGSMLPNQRVTLKVIRDKKERTFTLTLAERKNPNKKETISAQNGVQGQLNGLQVEDLTQKTKRSMRLSDDVQGVLVSQVNENSPAEQAGFRQGNIITKIEEVEVKSVADFNHALEKYKGKPKRFLVLDLNQGYRIILVK
Complex: CHAIN_B_2(3OU0) / Model_7(3OU0/A) = [4.0] Download--MMKKTFFVSLALALSLNAGNIQIQNMPKVKERISVPSKEDTIYSYHDSIKDSIKAVVNISTEKKIKNNFIGGGVFNDPFFQQFFGDLGGMIPKERMERALGSGVIISKDGYIVTNNHVIDGADKIKVTIPGSNKEYSATLVGTDSESDLAVIRITKDNLPTIKFSDSNDILVGDLVFAIGNPFGVGESVTQGIVSALNKSGIGINSYENFIQTDASINPGNSGGALIDSRGGLVGINTAIISKTGGNHGIGFAIPSNMVKDIVTQLIKTGKIERGYLGVGLQDLSGDLQNSYDNKEGAVVISVEKDSPAKKAGILVWDLITEVNGKKVKNTNELRNLIGSMLPNQRVTLKVIRDKKERTFTLTLAERKNPNKKETISAQNGVQGQLNGLQVEDLTQKTKRSMRLSDDVQGVLVSQVNENSPAEQAGFRQGNIITKIEEVEVKSVADFNHALEKYKGKPKRFLVLDLNQGYRIILVK
Consensus
[pKd Mean = 3.66]		-575
(s=0)		16
(s=0)		MMKKTFFVSLALALSLNAGNIQIQNMPKVKERISVPSKEDTIYSYHDSIKDSIKAVVNISTEKKIKNNFIGGGVFNDPFFQQFFGDLGGMIPKERMERALGSGVIISKDGYIVTNNHVIDGADKIKVTIPGSNKEYSATLVGTDSESDLAVIRITKDNLPTIKFSDSNDILVGDLVFAIGNPFGVGESVTQGIVSALNKSGIGINSYENFIQTDASINPGNSGGALIDSRGGLVGINTAIISKTGGNHGIGFAIPSNMVKDIVTQLIKTGKIERGYLGVGLQDLSGDLQNSYDNKEGAVVISVEKDSPAKKAGILVWDLITEVNGKKVKNTNELRNLIGSMLPNQRVTLKVIRDKKERTFTLTLAERKNPNKKETISAQNGVQGQLNGLQVEDLTQKTKRSMRLSDDVQGVLVSQVNENSPAEQAGFRQGNIITKIEEVEVKSVADFNHALEKYKGKPKRFLVLDLNQGYRIILVK