Study : Rv1629 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: AF_C_7(1UA1) / Model_91(1UA1/A) = [3.4] Download855.2431.38MVTTASAPSEDRAKPTLMLLDGNSLAFRAFYALPAENFKTRGGLTTNAVYGFTAMLINLLRDEAPTHIAAAFDVSRQTFRLQRYPEYKANRSSTPDEFAGQIDITKEVLGALGITVLSEPGFEADDLIATLATQAENEGYRVLVVTGDRDALQLVSDDVTVLYPRKGVSELTRFTPEAVVEKYGLTPRQYPDFAALRGDPSDNLPGIPGVGEKTAAKWIAEYGSLRSLVDNVDAVRGKVGDALRANLASVVRNRELTDLVRDVPLAQTPDTLRLQPWDRDHIHRLFDDLEFRVLRDRLFDTLAAAGGPEVDEGFDVRGGALAPGTVRQWLAEHAGDGRRAGLTVVGTHLPHGGDATAMAVAAADGEGAYLDTATLTPDDDAALAAWLADPAKPKALHEAKAAVHDLAGRGWTLEGVTSDTALAAYLVRPGQRSFTLDDLSLRYLRRELRAETPQQQQLSLLDDDDTDAETIQTTILRARAVIDLADALDAELARIDSTALLGEMELPVQRVLAKMESAGIAVDLPMLTELQSQFGDQIRDAAEAAYGVIGKQINLGSPKQLQVVLFDELGMPKTKRTKTGYTTDADALQSLFDKTGHPFLQHLLAHRDVTRLKVTVDGLLQAVAADGRIHTTFNQTIAATGRLSSTEPNLQNIPIRTDAGRRIRDAFVVGDGYAELMTADYSQIEMRIMAHLSGDEGLIEAFNTGEDLHSFVASRAFGVPIDEVTGELRRRVKAMSYGLAYGLSAYGLSQQLKISTEEANEQMDAYFARFGGVRDYLRAVVERARKDGYTSTVLGRRRYLPELDSSNRQVREAAERAALNAPIQGSAADIIKVAMIQVDKALNEAQLASRMLLQVHDELLFEIAPGERERVEALVRDKMGGAYPLDVPLEVSVGYGRSWDAAAH
Complex: SUC_A_4(1NKB) / Model_74(1NKB/A) = [3.5] Download1114.1618.59MVTTASAPSEDRAKPTLMLLDGNSLAFRAFYALPAENFKTRGGLTTNAVYGFTAMLINLLRDEAPTHIAAAFDVSRQTFRLQRYPEYKANRSSTPDEFAGQIDITKEVLGALGITVLSEPGFEADDLIATLATQAENEGYRVLVVTGDRDALQLVSDDVTVLYPRKGVSELTRFTPEAVVEKYGLTPRQYPDFAALRGDPSDNLPGIPGVGEKTAAKWIAEYGSLRSLVDNVDAVRGKVGDALRANLASVVRNRELTDLVRDVPLAQTPDTLRLQPWDRDHIHRLFDDLEFRVLRDRLFDTLAAAGGPEVDEGFDVRGGALAPGTVRQWLAEHAGDGRRAGLTVVGTHLPHGGDATAMAVAAADGEGAYLDTATLTPDDDAALAAWLADPAKPKALHEAKAAVHDLAGRGWTLEGVTSDTALAAYLVRPGQRSFTLDDLSLRYLRRELRAETPQQQQLSLLDDDDTDAETIQTTILRARAVIDLADALDAELARIDSTALLGEMELPVQRVLAKMESAGIAVDLPMLTELQSQFGDQIRDAAEAAYGVIGKQINLGSPKQLQVVLFDELGMPKTKRTKTGYTTDADALQSLFDKTGHPFLQHLLAHRDVTRLKVTVDGLLQAVAADGRIHTTFNQTIAATGRLSSTEPNLQNIPIRTDAGRRIRDAFVVGDGYAELMTADYSQIEMRIMAHLSGDEGLIEAFNTGEDLHSFVASRAFGVPIDEVTGELRRRVKAMSYGLAYGLSAYGLSQQLKISTEEANEQMDAYFARFGGVRDYLRAVVERARKDGYTSTVLGRRRYLPELDSSNRQVREAAERAALNAPIQGSAADIIKVAMIQVDKALNEAQLASRMLLQVHDELLFEIAPGERERVEALVRDKMGGAYPLDVPLEVSVGYGRSWDAAAH
Complex: CHAIN_C_2(1NJW) / Model_85(1NJW/A) = [3.5] Download--MVTTASAPSEDRAKPTLMLLDGNSLAFRAFYALPAENFKTRGGLTTNAVYGFTAMLINLLRDEAPTHIAAAFDVSRQTFRLQRYPEYKANRSSTPDEFAGQIDITKEVLGALGITVLSEPGFEADDLIATLATQAENEGYRVLVVTGDRDALQLVSDDVTVLYPRKGVSELTRFTPEAVVEKYGLTPRQYPDFAALRGDPSDNLPGIPGVGEKTAAKWIAEYGSLRSLVDNVDAVRGKVGDALRANLASVVRNRELTDLVRDVPLAQTPDTLRLQPWDRDHIHRLFDDLEFRVLRDRLFDTLAAAGGPEVDEGFDVRGGALAPGTVRQWLAEHAGDGRRAGLTVVGTHLPHGGDATAMAVAAADGEGAYLDTATLTPDDDAALAAWLADPAKPKALHEAKAAVHDLAGRGWTLEGVTSDTALAAYLVRPGQRSFTLDDLSLRYLRRELRAETPQQQQLSLLDDDDTDAETIQTTILRARAVIDLADALDAELARIDSTALLGEMELPVQRVLAKMESAGIAVDLPMLTELQSQFGDQIRDAAEAAYGVIGKQINLGSPKQLQVVLFDELGMPKTKRTKTGYTTDADALQSLFDKTGHPFLQHLLAHRDVTRLKVTVDGLLQAVAADGRIHTTFNQTIAATGRLSSTEPNLQNIPIRTDAGRRIRDAFVVGDGYAELMTADYSQIEMRIMAHLSGDEGLIEAFNTGEDLHSFVASRAFGVPIDEVTGELRRRVKAMSYGLAYGLSAYGLSQQLKISTEEANEQMDAYFARFGGVRDYLRAVVERARKDGYTSTVLGRRRYLPELDSSNRQVREAAERAALNAPIQGSAADIIKVAMIQVDKALNEAQLASRMLLQVHDELLFEIAPGERERVEALVRDKMGGAYPLDVPLEVSVGYGRSWDAAAH
Complex: TTP_A_9(1NJY) / Model_83(1NJY/A) = [3.7] Download974.494.00MVTTASAPSEDRAKPTLMLLDGNSLAFRAFYALPAENFKTRGGLTTNAVYGFTAMLINLLRDEAPTHIAAAFDVSRQTFRLQRYPEYKANRSSTPDEFAGQIDITKEVLGALGITVLSEPGFEADDLIATLATQAENEGYRVLVVTGDRDALQLVSDDVTVLYPRKGVSELTRFTPEAVVEKYGLTPRQYPDFAALRGDPSDNLPGIPGVGEKTAAKWIAEYGSLRSLVDNVDAVRGKVGDALRANLASVVRNRELTDLVRDVPLAQTPDTLRLQPWDRDHIHRLFDDLEFRVLRDRLFDTLAAAGGPEVDEGFDVRGGALAPGTVRQWLAEHAGDGRRAGLTVVGTHLPHGGDATAMAVAAADGEGAYLDTATLTPDDDAALAAWLADPAKPKALHEAKAAVHDLAGRGWTLEGVTSDTALAAYLVRPGQRSFTLDDLSLRYLRRELRAETPQQQQLSLLDDDDTDAETIQTTILRARAVIDLADALDAELARIDSTALLGEMELPVQRVLAKMESAGIAVDLPMLTELQSQFGDQIRDAAEAAYGVIGKQINLGSPKQLQVVLFDELGMPKTKRTKTGYTTDADALQSLFDKTGHPFLQHLLAHRDVTRLKVTVDGLLQAVAADGRIHTTFNQTIAATGRLSSTEPNLQNIPIRTDAGRRIRDAFVVGDGYAELMTADYSQIEMRIMAHLSGDEGLIEAFNTGEDLHSFVASRAFGVPIDEVTGELRRRVKAMSYGLAYGLSAYGLSQQLKISTEEANEQMDAYFARFGGVRDYLRAVVERARKDGYTSTVLGRRRYLPELDSSNRQVREAAERAALNAPIQGSAADIIKVAMIQVDKALNEAQLASRMLLQVHDELLFEIAPGERERVEALVRDKMGGAYPLDVPLEVSVGYGRSWDAAAH
Complex: SUC_A_4(1XC9) / Model_71(1XC9/A) = [3.7] Download992.7620.94MVTTASAPSEDRAKPTLMLLDGNSLAFRAFYALPAENFKTRGGLTTNAVYGFTAMLINLLRDEAPTHIAAAFDVSRQTFRLQRYPEYKANRSSTPDEFAGQIDITKEVLGALGITVLSEPGFEADDLIATLATQAENEGYRVLVVTGDRDALQLVSDDVTVLYPRKGVSELTRFTPEAVVEKYGLTPRQYPDFAALRGDPSDNLPGIPGVGEKTAAKWIAEYGSLRSLVDNVDAVRGKVGDALRANLASVVRNRELTDLVRDVPLAQTPDTLRLQPWDRDHIHRLFDDLEFRVLRDRLFDTLAAAGGPEVDEGFDVRGGALAPGTVRQWLAEHAGDGRRAGLTVVGTHLPHGGDATAMAVAAADGEGAYLDTATLTPDDDAALAAWLADPAKPKALHEAKAAVHDLAGRGWTLEGVTSDTALAAYLVRPGQRSFTLDDLSLRYLRRELRAETPQQQQLSLLDDDDTDAETIQTTILRARAVIDLADALDAELARIDSTALLGEMELPVQRVLAKMESAGIAVDLPMLTELQSQFGDQIRDAAEAAYGVIGKQINLGSPKQLQVVLFDELGMPKTKRTKTGYTTDADALQSLFDKTGHPFLQHLLAHRDVTRLKVTVDGLLQAVAADGRIHTTFNQTIAATGRLSSTEPNLQNIPIRTDAGRRIRDAFVVGDGYAELMTADYSQIEMRIMAHLSGDEGLIEAFNTGEDLHSFVASRAFGVPIDEVTGELRRRVKAMSYGLAYGLSAYGLSQQLKISTEEANEQMDAYFARFGGVRDYLRAVVERARKDGYTSTVLGRRRYLPELDSSNRQVREAAERAALNAPIQGSAADIIKVAMIQVDKALNEAQLASRMLLQVHDELLFEIAPGERERVEALVRDKMGGAYPLDVPLEVSVGYGRSWDAAAH
Consensus
[pKd Mean = 3.56]
-984
(s=91)
18
(s=9)
MVTTASAPSEDRAKPTLMLLDGNSLAFRAFYALPAENFKTRGGLTTNAVYGFTAMLINLLRDEAPTHIAAAFDVSRQTFRLQRYPEYKANRSSTPDEFAGQIDITKEVLGALGITVLSEPGFEADDLIATLATQAENEGYRVLVVTGDRDALQLVSDDVTVLYPRKGVSELTRFTPEAVVEKYGLTPRQYPDFAALRGDPSDNLPGIPGVGEKTAAKWIAEYGSLRSLVDNVDAVRGKVGDALRANLASVVRNRELTDLVRDVPLAQTPDTLRLQPWDRDHIHRLFDDLEFRVLRDRLFDTLAAAGGPEVDEGFDVRGGALAPGTVRQWLAEHAGDGRRAGLTVVGTHLPHGGDATAMAVAAADGEGAYLDTATLTPDDDAALAAWLADPAKPKALHEAKAAVHDLAGRGWTLEGVTSDTALAAYLVRPGQRSFTLDDLSLRYLRRELRAETPQQQQLSLLDDDDTDAETIQTTILRARAVIDLADALDAELARIDSTALLGEMELPVQRVLAKMESAGIAVDLPMLTELQSQFGDQIRDAAEAAYGVIGKQINLGSPKQLQVVLFDELGMPKTKRTKTGYTTDADALQSLFDKTGHPFLQHLLAHRDVTRLKVTVDGLLQAVAADGRIHTTFNQTIAATGRLSSTEPNLQNIPIRTDAGRRIRDAFVVGDGYAELMTADYSQIEMRIMAHLSGDEGLIEAFNTGEDLHSFVASRAFGVPIDEVTGELRRRVKAMSYGLAYGLSAYGLSQQLKISTEEANEQMDAYFARFGGVRDYLRAVVERARKDGYTSTVLGRRRYLPELDSSNRQVREAAERAALNAPIQGSAADIIKVAMIQVDKALNEAQLASRMLLQVHDELLFEIAPGERERVEALVRDKMGGAYPLDVPLEVSVGYGRSWDAAAH