Study : Rv1552 (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: FAD_A_5(3AEC) / Model_64(3AEC/A) = [8.6] Download514.5019.62MTAQHNIVVIGGGGAGLRAAIAIAETNPHLDVAIVSKVYPMRSHTVSAEGGAAAVTGDDDSLDEHAHDTVSGGDWLCDQDAVEAFVAEAPKELVQLEHWGCPWSRKPDGRVAVRPFGGMKKLRTWFAADKTGFHLLHTLFQRLLTYSDVMRYDEWFATTLLVDDGRVCGLVAIELATGRIETILADAVILCTGGCGRVFPFTTNANIKTGDGMALAFRAGAPLKDMEFVQYHPTGLPFTGILITEAARAEGGWLLNKDGYRYLQDYDLGKPTPEPRLRSMELGPRDRLSQAFVHEHNKGRTVDTPYGPVVYLDLRHLGADLIDAKLPFVRELCRDYQHIDPVVELVPVRPVVHYMMGGVHTDINGATTLPGLYAAGETACVSINGANRLGSNSLPELLVFGARAGRAAADYAARHQKSDRGPSSAVRAQARTEALRLERELSRHGQGGERIADIRADMQATLESAAGIYRDGPTLTKAVEEIRVLQERFATAGIDDHSRTFNTELTALLELSGMLDVALAIVESGLRREESRGAHQRTDFPNRDDEHFLAHTLVHRESDGTLRVGYLPVTITRWPPGERVYGR
Complex: FAD_A_5(3AE8) / Model_68(3AE8/A) = [9.5] Download573.5214.05MTAQHNIVVIGGGGAGLRAAIAIAETNPHLDVAIVSKVYPMRSHTVSAEGGAAAVTGDDDSLDEHAHDTVSGGDWLCDQDAVEAFVAEAPKELVQLEHWGCPWSRKPDGRVAVRPFGGMKKLRTWFAADKTGFHLLHTLFQRLLTYSDVMRYDEWFATTLLVDDGRVCGLVAIELATGRIETILADAVILCTGGCGRVFPFTTNANIKTGDGMALAFRAGAPLKDMEFVQYHPTGLPFTGILITEAARAEGGWLLNKDGYRYLQDYDLGKPTPEPRLRSMELGPRDRLSQAFVHEHNKGRTVDTPYGPVVYLDLRHLGADLIDAKLPFVRELCRDYQHIDPVVELVPVRPVVHYMMGGVHTDINGATTLPGLYAAGETACVSINGANRLGSNSLPELLVFGARAGRAAADYAARHQKSDRGPSSAVRAQARTEALRLERELSRHGQGGERIADIRADMQATLESAAGIYRDGPTLTKAVEEIRVLQERFATAGIDDHSRTFNTELTALLELSGMLDVALAIVESGLRREESRGAHQRTDFPNRDDEHFLAHTLVHRESDGTLRVGYLPVTITRWPPGERVYGR
Complex: FAD_A_5(3AE5) / Model_71(3AE5/A) = [9.6] Download569.2816.76MTAQHNIVVIGGGGAGLRAAIAIAETNPHLDVAIVSKVYPMRSHTVSAEGGAAAVTGDDDSLDEHAHDTVSGGDWLCDQDAVEAFVAEAPKELVQLEHWGCPWSRKPDGRVAVRPFGGMKKLRTWFAADKTGFHLLHTLFQRLLTYSDVMRYDEWFATTLLVDDGRVCGLVAIELATGRIETILADAVILCTGGCGRVFPFTTNANIKTGDGMALAFRAGAPLKDMEFVQYHPTGLPFTGILITEAARAEGGWLLNKDGYRYLQDYDLGKPTPEPRLRSMELGPRDRLSQAFVHEHNKGRTVDTPYGPVVYLDLRHLGADLIDAKLPFVRELCRDYQHIDPVVELVPVRPVVHYMMGGVHTDINGATTLPGLYAAGETACVSINGANRLGSNSLPELLVFGARAGRAAADYAARHQKSDRGPSSAVRAQARTEALRLERELSRHGQGGERIADIRADMQATLESAAGIYRDGPTLTKAVEEIRVLQERFATAGIDDHSRTFNTELTALLELSGMLDVALAIVESGLRREESRGAHQRTDFPNRDDEHFLAHTLVHRESDGTLRVGYLPVTITRWPPGERVYGR
Complex: FAD_A_5(3AE7) / Model_69(3AE7/A) = [9.6] Download525.4818.15MTAQHNIVVIGGGGAGLRAAIAIAETNPHLDVAIVSKVYPMRSHTVSAEGGAAAVTGDDDSLDEHAHDTVSGGDWLCDQDAVEAFVAEAPKELVQLEHWGCPWSRKPDGRVAVRPFGGMKKLRTWFAADKTGFHLLHTLFQRLLTYSDVMRYDEWFATTLLVDDGRVCGLVAIELATGRIETILADAVILCTGGCGRVFPFTTNANIKTGDGMALAFRAGAPLKDMEFVQYHPTGLPFTGILITEAARAEGGWLLNKDGYRYLQDYDLGKPTPEPRLRSMELGPRDRLSQAFVHEHNKGRTVDTPYGPVVYLDLRHLGADLIDAKLPFVRELCRDYQHIDPVVELVPVRPVVHYMMGGVHTDINGATTLPGLYAAGETACVSINGANRLGSNSLPELLVFGARAGRAAADYAARHQKSDRGPSSAVRAQARTEALRLERELSRHGQGGERIADIRADMQATLESAAGIYRDGPTLTKAVEEIRVLQERFATAGIDDHSRTFNTELTALLELSGMLDVALAIVESGLRREESRGAHQRTDFPNRDDEHFLAHTLVHRESDGTLRVGYLPVTITRWPPGERVYGR
Complex: FAD_A_5(3AE3) / Model_73(3AE3/A) = [9.6] Download631.7015.82MTAQHNIVVIGGGGAGLRAAIAIAETNPHLDVAIVSKVYPMRSHTVSAEGGAAAVTGDDDSLDEHAHDTVSGGDWLCDQDAVEAFVAEAPKELVQLEHWGCPWSRKPDGRVAVRPFGGMKKLRTWFAADKTGFHLLHTLFQRLLTYSDVMRYDEWFATTLLVDDGRVCGLVAIELATGRIETILADAVILCTGGCGRVFPFTTNANIKTGDGMALAFRAGAPLKDMEFVQYHPTGLPFTGILITEAARAEGGWLLNKDGYRYLQDYDLGKPTPEPRLRSMELGPRDRLSQAFVHEHNKGRTVDTPYGPVVYLDLRHLGADLIDAKLPFVRELCRDYQHIDPVVELVPVRPVVHYMMGGVHTDINGATTLPGLYAAGETACVSINGANRLGSNSLPELLVFGARAGRAAADYAARHQKSDRGPSSAVRAQARTEALRLERELSRHGQGGERIADIRADMQATLESAAGIYRDGPTLTKAVEEIRVLQERFATAGIDDHSRTFNTELTALLELSGMLDVALAIVESGLRREESRGAHQRTDFPNRDDEHFLAHTLVHRESDGTLRVGYLPVTITRWPPGERVYGR
Consensus
[pKd Mean = 9.38]
-562
(s=41)
16
(s=2)
MTAQHNIVVIGGGGAGLRAAIAIAETNPHLDVAIVSKVYPMRSHTVSAEGGAAAVTGDDDSLDEHAHDTVSGGDWLCDQDAVEAFVAEAPKELVQLEHWGCPWSRKPDGRVAVRPFGGMKKLRTWFAADKTGFHLLHTLFQRLLTYSDVMRYDEWFATTLLVDDGRVCGLVAIELATGRIETILADAVILCTGGCGRVFPFTTNANIKTGDGMALAFRAGAPLKDMEFVQYHPTGLPFTGILITEAARAEGGWLLNKDGYRYLQDYDLGKPTPEPRLRSMELGPRDRLSQAFVHEHNKGRTVDTPYGPVVYLDLRHLGADLIDAKLPFVRELCRDYQHIDPVVELVPVRPVVHYMMGGVHTDINGATTLPGLYAAGETACVSINGANRLGSNSLPELLVFGARAGRAAADYAARHQKSDRGPSSAVRAQARTEALRLERELSRHGQGGERIADIRADMQATLESAAGIYRDGPTLTKAVEEIRVLQERFATAGIDDHSRTFNTELTALLELSGMLDVALAIVESGLRREESRGAHQRTDFPNRDDEHFLAHTLVHRESDGTLRVGYLPVTITRWPPGERVYGR