Study : Rv3464 (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: DAU_G_7(1KER) / Model_23(1KER/B) = [10.0] Download715.1513.91MRLLVTGGAGFIGTNFVHSAVREHPDDAVTVLDALTYAGRRESLADVEDAIRLVQGDITDAELVSQLVAESDAVVHFAAESHVDNALDNPEPFLHTNVIGTFTILEAVRRHGVRLHHISTDEVYGDLELDDRARFTESTPYNPSSPYSATKAGADMLVRAWVRSYGVRATISNCSNNYGPYQHVEKFIPRQITNVLTGRRPKLYGAGANVRDWIHVDDHNSAVRRILDRGRIGRTYLISSEGERDNLTVLRTLLRLMDRDPDDFDHVTDRVGHDLRYAIDPSTLYDELCWAPKHTDFEEGLRTTIDWYRDNESWWRPLKDATEARYQERGQ
Complex: DAU_F_6(1KER) / Model_2(1KER/A) = [10.1] Download776.5613.15MRLLVTGGAGFIGTNFVHSAVREHPDDAVTVLDALTYAGRRESLADVEDAIRLVQGDITDAELVSQLVAESDAVVHFAAESHVDNALDNPEPFLHTNVIGTFTILEAVRRHGVRLHHISTDEVYGDLELDDRARFTESTPYNPSSPYSATKAGADMLVRAWVRSYGVRATISNCSNNYGPYQHVEKFIPRQITNVLTGRRPKLYGAGANVRDWIHVDDHNSAVRRILDRGRIGRTYLISSEGERDNLTVLRTLLRLMDRDPDDFDHVTDRVGHDLRYAIDPSTLYDELCWAPKHTDFEEGLRTTIDWYRDNESWWRPLKDATEARYQERGQ
Complex: NAD_C_3(2HUN) / Model_49(2HUN/A) = [10.2] Download1268.1810.13MRLLVTGGAGFIGTNFVHSAVREHPDDAVTVLDALTYAGRRESLADVEDAIRLVQGDITDAELVSQLVAESDAVVHFAAESHVDNALDNPEPFLHTNVIGTFTILEAVRRHGVRLHHISTDEVYGDLELDDRARFTESTPYNPSSPYSATKAGADMLVRAWVRSYGVRATISNCSNNYGPYQHVEKFIPRQITNVLTGRRPKLYGAGANVRDWIHVDDHNSAVRRILDRGRIGRTYLISSEGERDNLTVLRTLLRLMDRDPDDFDHVTDRVGHDLRYAIDPSTLYDELCWAPKHTDFEEGLRTTIDWYRDNESWWRPLKDATEARYQERGQ
Complex: NAD_C_3(2HUN) / Model_5(2HUN/A) = [10.2] Download1187.7410.13MRLLVTGGAGFIGTNFVHSAVREHPDDAVTVLDALTYAGRRESLADVEDAIRLVQGDITDAELVSQLVAESDAVVHFAAESHVDNALDNPEPFLHTNVIGTFTILEAVRRHGVRLHHISTDEVYGDLELDDRARFTESTPYNPSSPYSATKAGADMLVRAWVRSYGVRATISNCSNNYGPYQHVEKFIPRQITNVLTGRRPKLYGAGANVRDWIHVDDHNSAVRRILDRGRIGRTYLISSEGERDNLTVLRTLLRLMDRDPDDFDHVTDRVGHDLRYAIDPSTLYDELCWAPKHTDFEEGLRTTIDWYRDNESWWRPLKDATEARYQERGQ
Complex: NAD_D_4(2HUN) / Model_25(2HUN/B) = [10.6] Download1091.076.10MRLLVTGGAGFIGTNFVHSAVREHPDDAVTVLDALTYAGRRESLADVEDAIRLVQGDITDAELVSQLVAESDAVVHFAAESHVDNALDNPEPFLHTNVIGTFTILEAVRRHGVRLHHISTDEVYGDLELDDRARFTESTPYNPSSPYSATKAGADMLVRAWVRSYGVRATISNCSNNYGPYQHVEKFIPRQITNVLTGRRPKLYGAGANVRDWIHVDDHNSAVRRILDRGRIGRTYLISSEGERDNLTVLRTLLRLMDRDPDDFDHVTDRVGHDLRYAIDPSTLYDELCWAPKHTDFEEGLRTTIDWYRDNESWWRPLKDATEARYQERGQ
Consensus
[pKd Mean = 10.22]
-1007
(s=221)
10
(s=2)
MRLLVTGGAGFIGTNFVHSAVREHPDDAVTVLDALTYAGRRESLADVEDAIRLVQGDITDAELVSQLVAESDAVVHFAAESHVDNALDNPEPFLHTNVIGTFTILEAVRRHGVRLHHISTDEVYGDLELDDRARFTESTPYNPSSPYSATKAGADMLVRAWVRSYGVRATISNCSNNYGPYQHVEKFIPRQITNVLTGRRPKLYGAGANVRDWIHVDDHNSAVRRILDRGRIGRTYLISSEGERDNLTVLRTLLRLMDRDPDDFDHVTDRVGHDLRYAIDPSTLYDELCWAPKHTDFEEGLRTTIDWYRDNESWWRPLKDATEARYQERGQ