Study : Lmo1993 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: IUR_B_4(2WK6) / Model_25(2WK6/B) = [3.8] Download247.6420.12MRMVDIISKKRDGKALSTEEIQFFIDGYTNGEIPDYQASALAMAIFFQDMNDQERADLTMAMVGSGDTIDLSEIEGIKVDKHSTGGVGDTTTLVLAPLVAAVGVPVAKMSGRGLGHTGGTIDKLESIEGFHIELDKKDFIDLVNRDKVAVIGQSGNLTPADKKMYALRDVTGTVNSIPLIASSIMSKKIAAGADAIVLDVKTGAGAFMKTDEDAENLAHAMVRIGNNVGRNTMAVISDMSQPLGEAIGNALEVKEAIDTLKGQGPEDLTELVLVLGSQMVVLAKQAETLDEARAKLIEVIENGAALEKFKTFLSNQGGDASIVDHPEKLPQAKYQIEVPAKTSGFVSQIVADEIGIAAMILGAGRATKEDEINLAVGLMLRKKVGDAVKEGESLVTIFADQEDVENVKAKIYENIQISDHAIAPTLVHKVITE
Complex: IUR_A_3(2WK6) / Model_13(2WK6/A) = [3.9] Download234.2821.69MRMVDIISKKRDGKALSTEEIQFFIDGYTNGEIPDYQASALAMAIFFQDMNDQERADLTMAMVGSGDTIDLSEIEGIKVDKHSTGGVGDTTTLVLAPLVAAVGVPVAKMSGRGLGHTGGTIDKLESIEGFHIELDKKDFIDLVNRDKVAVIGQSGNLTPADKKMYALRDVTGTVNSIPLIASSIMSKKIAAGADAIVLDVKTGAGAFMKTDEDAENLAHAMVRIGNNVGRNTMAVISDMSQPLGEAIGNALEVKEAIDTLKGQGPEDLTELVLVLGSQMVVLAKQAETLDEARAKLIEVIENGAALEKFKTFLSNQGGDASIVDHPEKLPQAKYQIEVPAKTSGFVSQIVADEIGIAAMILGAGRATKEDEINLAVGLMLRKKVGDAVKEGESLVTIFADQEDVENVKAKIYENIQISDHAIAPTLVHKVITE
Complex: THM_A_2(3H5Q) / Model_32(3H5Q/A) = [4.0] Download1020.4316.79MRMVDIISKKRDGKALSTEEIQFFIDGYTNGEIPDYQASALAMAIFFQDMNDQERADLTMAMVGSGDTIDLSEIEGIKVDKHSTGGVGDTTTLVLAPLVAAVGVPVAKMSGRGLGHTGGTIDKLESIEGFHIELDKKDFIDLVNRDKVAVIGQSGNLTPADKKMYALRDVTGTVNSIPLIASSIMSKKIAAGADAIVLDVKTGAGAFMKTDEDAENLAHAMVRIGNNVGRNTMAVISDMSQPLGEAIGNALEVKEAIDTLKGQGPEDLTELVLVLGSQMVVLAKQAETLDEARAKLIEVIENGAALEKFKTFLSNQGGDASIVDHPEKLPQAKYQIEVPAKTSGFVSQIVADEIGIAAMILGAGRATKEDEINLAVGLMLRKKVGDAVKEGESLVTIFADQEDVENVKAKIYENIQISDHAIAPTLVHKVITE
Complex: 0NP_A_2(4EAD) / Model_8(4EAD/A) = [4.7] Download730.4624.43MRMVDIISKKRDGKALSTEEIQFFIDGYTNGEIPDYQASALAMAIFFQDMNDQERADLTMAMVGSGDTIDLSEIEGIKVDKHSTGGVGDTTTLVLAPLVAAVGVPVAKMSGRGLGHTGGTIDKLESIEGFHIELDKKDFIDLVNRDKVAVIGQSGNLTPADKKMYALRDVTGTVNSIPLIASSIMSKKIAAGADAIVLDVKTGAGAFMKTDEDAENLAHAMVRIGNNVGRNTMAVISDMSQPLGEAIGNALEVKEAIDTLKGQGPEDLTELVLVLGSQMVVLAKQAETLDEARAKLIEVIENGAALEKFKTFLSNQGGDASIVDHPEKLPQAKYQIEVPAKTSGFVSQIVADEIGIAAMILGAGRATKEDEINLAVGLMLRKKVGDAVKEGESLVTIFADQEDVENVKAKIYENIQISDHAIAPTLVHKVITE
Complex: CMU_A_2(1UOU) / Model_14(1UOU/A) = [5.7] Download488.387.21MRMVDIISKKRDGKALSTEEIQFFIDGYTNGEIPDYQASALAMAIFFQDMNDQERADLTMAMVGSGDTIDLSEIEGIKVDKHSTGGVGDTTTLVLAPLVAAVGVPVAKMSGRGLGHTGGTIDKLESIEGFHIELDKKDFIDLVNRDKVAVIGQSGNLTPADKKMYALRDVTGTVNSIPLIASSIMSKKIAAGADAIVLDVKTGAGAFMKTDEDAENLAHAMVRIGNNVGRNTMAVISDMSQPLGEAIGNALEVKEAIDTLKGQGPEDLTELVLVLGSQMVVLAKQAETLDEARAKLIEVIENGAALEKFKTFLSNQGGDASIVDHPEKLPQAKYQIEVPAKTSGFVSQIVADEIGIAAMILGAGRATKEDEINLAVGLMLRKKVGDAVKEGESLVTIFADQEDVENVKAKIYENIQISDHAIAPTLVHKVITE
Consensus
[pKd Mean = 4.42]
-544
(s=299)
18
(s=5)
MRMVDIISKKRDGKALSTEEIQFFIDGYTNGEIPDYQASALAMAIFFQDMNDQERADLTMAMVGSGDTIDLSEIEGIKVDKHSTGGVGDTTTLVLAPLVAAVGVPVAKMSGRGLGHTGGTIDKLESIEGFHIELDKKDFIDLVNRDKVAVIGQSGNLTPADKKMYALRDVTGTVNSIPLIASSIMSKKIAAGADAIVLDVKTGAGAFMKTDEDAENLAHAMVRIGNNVGRNTMAVISDMSQPLGEAIGNALEVKEAIDTLKGQGPEDLTELVLVLGSQMVVLAKQAETLDEARAKLIEVIENGAALEKFKTFLSNQGGDASIVDHPEKLPQAKYQIEVPAKTSGFVSQIVADEIGIAAMILGAGRATKEDEINLAVGLMLRKKVGDAVKEGESLVTIFADQEDVENVKAKIYENIQISDHAIAPTLVHKVITE