Study : Lmo1199 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: SAH_A_2(2ZVC) / Model_2(2ZVC/A) = [6.1] Download640.4117.83MIYVIGIGPGDKRLMTGEALQAIEDAEVIVGYVTYIKLIKELIKDKEVVKTGMRREIDRCQEAVDIALTGKKVAVVSSGDAGIYGMAGLVLELAEKSNPDLEVKVIPGITASIGAAAVLGAPIMHDFCHISLSDLMTPWEVIEKRLTHAAMADFVVCFYNPRSKGRANHLANAFQKMMEHKSGDTVVGIVKDVGRKEERKIITTMQGIDYELVDMTTVVIVGNKETYVKNGKMITPRGYSL
Complex: SAH_A_2(2ZVB) / Model_31(2ZVB/A) = [6.3] Download907.0723.93MIYVIGIGPGDKRLMTGEALQAIEDAEVIVGYVTYIKLIKELIKDKEVVKTGMRREIDRCQEAVDIALTGKKVAVVSSGDAGIYGMAGLVLELAEKSNPDLEVKVIPGITASIGAAAVLGAPIMHDFCHISLSDLMTPWEVIEKRLTHAAMADFVVCFYNPRSKGRANHLANAFQKMMEHKSGDTVVGIVKDVGRKEERKIITTMQGIDYELVDMTTVVIVGNKETYVKNGKMITPRGYSL
Complex: SAH_A_2(2ZVB) / Model_1(2ZVB/A) = [6.3] Download821.5523.93MIYVIGIGPGDKRLMTGEALQAIEDAEVIVGYVTYIKLIKELIKDKEVVKTGMRREIDRCQEAVDIALTGKKVAVVSSGDAGIYGMAGLVLELAEKSNPDLEVKVIPGITASIGAAAVLGAPIMHDFCHISLSDLMTPWEVIEKRLTHAAMADFVVCFYNPRSKGRANHLANAFQKMMEHKSGDTVVGIVKDVGRKEERKIITTMQGIDYELVDMTTVVIVGNKETYVKNGKMITPRGYSL
Complex: SAH_A_5(3NUT) / Model_3(3NUT/A) = [6.6] Download769.0229.96MIYVIGIGPGDKRLMTGEALQAIEDAEVIVGYVTYIKLIKELIKDKEVVKTGMRREIDRCQEAVDIALTGKKVAVVSSGDAGIYGMAGLVLELAEKSNPDLEVKVIPGITASIGAAAVLGAPIMHDFCHISLSDLMTPWEVIEKRLTHAAMADFVVCFYNPRSKGRANHLANAFQKMMEHKSGDTVVGIVKDVGRKEERKIITTMQGIDYELVDMTTVVIVGNKETYVKNGKMITPRGYSL
Complex: SAH_A_5(3NUT) / Model_50(3NUT/A) = [6.6] Download839.4229.96MIYVIGIGPGDKRLMTGEALQAIEDAEVIVGYVTYIKLIKELIKDKEVVKTGMRREIDRCQEAVDIALTGKKVAVVSSGDAGIYGMAGLVLELAEKSNPDLEVKVIPGITASIGAAAVLGAPIMHDFCHISLSDLMTPWEVIEKRLTHAAMADFVVCFYNPRSKGRANHLANAFQKMMEHKSGDTVVGIVKDVGRKEERKIITTMQGIDYELVDMTTVVIVGNKETYVKNGKMITPRGYSL
Consensus
[pKd Mean = 6.38]
-795
(s=89)
25
(s=4)
MIYVIGIGPGDKRLMTGEALQAIEDAEVIVGYVTYIKLIKELIKDKEVVKTGMRREIDRCQEAVDIALTGKKVAVVSSGDAGIYGMAGLVLELAEKSNPDLEVKVIPGITASIGAAAVLGAPIMHDFCHISLSDLMTPWEVIEKRLTHAAMADFVVCFYNPRSKGRANHLANAFQKMMEHKSGDTVVGIVKDVGRKEERKIITTMQGIDYELVDMTTVVIVGNKETYVKNGKMITPRGYSL