Study : Lmo2125 (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: MAL_A_8(4HW8) / Model_8(4HW8/A) = [3.1] Download1551.3819.72MKRFKKVGIVSAVLVMALSLAACGGGKDTSKSGSSDEKTLTVSVDAGYKDYVNKIKGDFEKDNDVKVKVVEKDMFETLEALPLDGPAGTAPDVMMSAFDRIGSLGQQGHLAEVKLGNKDDYDEKDQKQVTIDDKIYGAPAIIETLVLYYNKDLLDKAPATFKDLETLSKDSRFAFTSEKGKNTGFLAKWTDFYFSYGLLAGYGGYVFGDEGTNPKDIGLNNKGSVEGITYATKWFQDVWPKGMQDNKSADDFIQDQFVKGKAAAILGGPWSAANYKEAKINYGVAKIPTLNNGKEYSPFAGGKGWVVSNYSKNKDVAQKWLDYVTNQKNQETLYDMTNEVPANLKARDTAKSKNDELTNAVIEQYKNAQPMPNIPEMSEVWTGAENLMFDAASGSKTPQQSADDAVKVIEDNVTQKYTK
Complex: P33_B_7(4HS7) / Model_25(4HS7/B) = [3.2] Download1531.6116.33MKRFKKVGIVSAVLVMALSLAACGGGKDTSKSGSSDEKTLTVSVDAGYKDYVNKIKGDFEKDNDVKVKVVEKDMFETLEALPLDGPAGTAPDVMMSAFDRIGSLGQQGHLAEVKLGNKDDYDEKDQKQVTIDDKIYGAPAIIETLVLYYNKDLLDKAPATFKDLETLSKDSRFAFTSEKGKNTGFLAKWTDFYFSYGLLAGYGGYVFGDEGTNPKDIGLNNKGSVEGITYATKWFQDVWPKGMQDNKSADDFIQDQFVKGKAAAILGGPWSAANYKEAKINYGVAKIPTLNNGKEYSPFAGGKGWVVSNYSKNKDVAQKWLDYVTNQKNQETLYDMTNEVPANLKARDTAKSKNDELTNAVIEQYKNAQPMPNIPEMSEVWTGAENLMFDAASGSKTPQQSADDAVKVIEDNVTQKYTK
Complex: P33_A_4(4HS7) / Model_7(4HS7/A) = [3.4] Download1858.7215.47MKRFKKVGIVSAVLVMALSLAACGGGKDTSKSGSSDEKTLTVSVDAGYKDYVNKIKGDFEKDNDVKVKVVEKDMFETLEALPLDGPAGTAPDVMMSAFDRIGSLGQQGHLAEVKLGNKDDYDEKDQKQVTIDDKIYGAPAIIETLVLYYNKDLLDKAPATFKDLETLSKDSRFAFTSEKGKNTGFLAKWTDFYFSYGLLAGYGGYVFGDEGTNPKDIGLNNKGSVEGITYATKWFQDVWPKGMQDNKSADDFIQDQFVKGKAAAILGGPWSAANYKEAKINYGVAKIPTLNNGKEYSPFAGGKGWVVSNYSKNKDVAQKWLDYVTNQKNQETLYDMTNEVPANLKARDTAKSKNDELTNAVIEQYKNAQPMPNIPEMSEVWTGAENLMFDAASGSKTPQQSADDAVKVIEDNVTQKYTK
Complex: SUGAR_A_2(2XD3) / Model_2(2XD3/A) = [6.1] Download--MKRFKKVGIVSAVLVMALSLAACGGGKDTSKSGSSDEKTLTVSVDAGYKDYVNKIKGDFEKDNDVKVKVVEKDMFETLEALPLDGPAGTAPDVMMSAFDRIGSLGQQGHLAEVKLGNKDDYDEKDQKQVTIDDKIYGAPAIIETLVLYYNKDLLDKAPATFKDLETLSKDSRFAFTSEKGKNTGFLAKWTDFYFSYGLLAGYGGYVFGDEGTNPKDIGLNNKGSVEGITYATKWFQDVWPKGMQDNKSADDFIQDQFVKGKAAAILGGPWSAANYKEAKINYGVAKIPTLNNGKEYSPFAGGKGWVVSNYSKNKDVAQKWLDYVTNQKNQETLYDMTNEVPANLKARDTAKSKNDELTNAVIEQYKNAQPMPNIPEMSEVWTGAENLMFDAASGSKTPQQSADDAVKVIEDNVTQKYTK
Complex: SUGAR_A_2(2XD3) / Model_36(2XD3/A) = [6.2] Download--MKRFKKVGIVSAVLVMALSLAACGGGKDTSKSGSSDEKTLTVSVDAGYKDYVNKIKGDFEKDNDVKVKVVEKDMFETLEALPLDGPAGTAPDVMMSAFDRIGSLGQQGHLAEVKLGNKDDYDEKDQKQVTIDDKIYGAPAIIETLVLYYNKDLLDKAPATFKDLETLSKDSRFAFTSEKGKNTGFLAKWTDFYFSYGLLAGYGGYVFGDEGTNPKDIGLNNKGSVEGITYATKWFQDVWPKGMQDNKSADDFIQDQFVKGKAAAILGGPWSAANYKEAKINYGVAKIPTLNNGKEYSPFAGGKGWVVSNYSKNKDVAQKWLDYVTNQKNQETLYDMTNEVPANLKARDTAKSKNDELTNAVIEQYKNAQPMPNIPEMSEVWTGAENLMFDAASGSKTPQQSADDAVKVIEDNVTQKYTK
Consensus
[pKd Mean = 4.40]		-1647
(s=149)		17
(s=1)		MKRFKKVGIVSAVLVMALSLAACGGGKDTSKSGSSDEKTLTVSVDAGYKDYVNKIKGDFEKDNDVKVKVVEKDMFETLEALPLDGPAGTAPDVMMSAFDRIGSLGQQGHLAEVKLGNKDDYDEKDQKQVTIDDKIYGAPAIIETLVLYYNKDLLDKAPATFKDLETLSKDSRFAFTSEKGKNTGFLAKWTDFYFSYGLLAGYGGYVFGDEGTNPKDIGLNNKGSVEGITYATKWFQDVWPKGMQDNKSADDFIQDQFVKGKAAAILGGPWSAANYKEAKINYGVAKIPTLNNGKEYSPFAGGKGWVVSNYSKNKDVAQKWLDYVTNQKNQETLYDMTNEVPANLKARDTAKSKNDELTNAVIEQYKNAQPMPNIPEMSEVWTGAENLMFDAASGSKTPQQSADDAVKVIEDNVTQKYTK