Study : Lmo2022 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: PLP_A_4(4EB7) / Model_2(4EB7/A) = [3.2] Download678.3713.96MIYFDHAATTKMSEAALEVFMSASREFFANSESLHDAGTKSAALLEKCRGSFAEILHVPSRGIMFTSGGTESNQIAIQTLLHSTKKKEVLVSPLEHASVWQQLEALEEAGACWLRLLPVDAFGRVDPAVLSDMISPDTGLVIIQHVNSEIGSIQPIRELAHIAKQAGVYFHTDIVQSFGKLDLTLDDVTSFSISSHKIYGPKGAGLLFIKPDVPMQVPLPNVHHEFGFRPGTVNVPAIAAFTTAAYDIMGNREKEARRIAELKKAICEALTAKVKVEGGLNTSPFILGITLPNMQGQEALLALNEADIQISTTSACSLRDPAPSRTLLATGKTIEEASRFIRLSFGRENELSDSLIFKKELDKLLRKR
Complex: PLP_A_3(3VAX) / Model_8(3VAX/A) = [3.4] Download408.649.52MIYFDHAATTKMSEAALEVFMSASREFFANSESLHDAGTKSAALLEKCRGSFAEILHVPSRGIMFTSGGTESNQIAIQTLLHSTKKKEVLVSPLEHASVWQQLEALEEAGACWLRLLPVDAFGRVDPAVLSDMISPDTGLVIIQHVNSEIGSIQPIRELAHIAKQAGVYFHTDIVQSFGKLDLTLDDVTSFSISSHKIYGPKGAGLLFIKPDVPMQVPLPNVHHEFGFRPGTVNVPAIAAFTTAAYDIMGNREKEARRIAELKKAICEALTAKVKVEGGLNTSPFILGITLPNMQGQEALLALNEADIQISTTSACSLRDPAPSRTLLATGKTIEEASRFIRLSFGRENELSDSLIFKKELDKLLRKR
Complex: PLP_A_3(3LVK) / Model_7(3LVK/A) = [3.5] Download647.0511.54MIYFDHAATTKMSEAALEVFMSASREFFANSESLHDAGTKSAALLEKCRGSFAEILHVPSRGIMFTSGGTESNQIAIQTLLHSTKKKEVLVSPLEHASVWQQLEALEEAGACWLRLLPVDAFGRVDPAVLSDMISPDTGLVIIQHVNSEIGSIQPIRELAHIAKQAGVYFHTDIVQSFGKLDLTLDDVTSFSISSHKIYGPKGAGLLFIKPDVPMQVPLPNVHHEFGFRPGTVNVPAIAAFTTAAYDIMGNREKEARRIAELKKAICEALTAKVKVEGGLNTSPFILGITLPNMQGQEALLALNEADIQISTTSACSLRDPAPSRTLLATGKTIEEASRFIRLSFGRENELSDSLIFKKELDKLLRKR
Complex: PLP_C_3(1ECX) / Model_4(1ECX/A) = [3.6] Download730.5213.40MIYFDHAATTKMSEAALEVFMSASREFFANSESLHDAGTKSAALLEKCRGSFAEILHVPSRGIMFTSGGTESNQIAIQTLLHSTKKKEVLVSPLEHASVWQQLEALEEAGACWLRLLPVDAFGRVDPAVLSDMISPDTGLVIIQHVNSEIGSIQPIRELAHIAKQAGVYFHTDIVQSFGKLDLTLDDVTSFSISSHKIYGPKGAGLLFIKPDVPMQVPLPNVHHEFGFRPGTVNVPAIAAFTTAAYDIMGNREKEARRIAELKKAICEALTAKVKVEGGLNTSPFILGITLPNMQGQEALLALNEADIQISTTSACSLRDPAPSRTLLATGKTIEEASRFIRLSFGRENELSDSLIFKKELDKLLRKR
Complex: PMP_A_5(4HVK) / Model_3(4HVK/A) = [3.7] Download602.2216.68MIYFDHAATTKMSEAALEVFMSASREFFANSESLHDAGTKSAALLEKCRGSFAEILHVPSRGIMFTSGGTESNQIAIQTLLHSTKKKEVLVSPLEHASVWQQLEALEEAGACWLRLLPVDAFGRVDPAVLSDMISPDTGLVIIQHVNSEIGSIQPIRELAHIAKQAGVYFHTDIVQSFGKLDLTLDDVTSFSISSHKIYGPKGAGLLFIKPDVPMQVPLPNVHHEFGFRPGTVNVPAIAAFTTAAYDIMGNREKEARRIAELKKAICEALTAKVKVEGGLNTSPFILGITLPNMQGQEALLALNEADIQISTTSACSLRDPAPSRTLLATGKTIEEASRFIRLSFGRENELSDSLIFKKELDKLLRKR
Consensus
[pKd Mean = 3.48]
-613
(s=110)
13
(s=2)
MIYFDHAATTKMSEAALEVFMSASREFFANSESLHDAGTKSAALLEKCRGSFAEILHVPSRGIMFTSGGTESNQIAIQTLLHSTKKKEVLVSPLEHASVWQQLEALEEAGACWLRLLPVDAFGRVDPAVLSDMISPDTGLVIIQHVNSEIGSIQPIRELAHIAKQAGVYFHTDIVQSFGKLDLTLDDVTSFSISSHKIYGPKGAGLLFIKPDVPMQVPLPNVHHEFGFRPGTVNVPAIAAFTTAAYDIMGNREKEARRIAELKKAICEALTAKVKVEGGLNTSPFILGITLPNMQGQEALLALNEADIQISTTSACSLRDPAPSRTLLATGKTIEEASRFIRLSFGRENELSDSLIFKKELDKLLRKR