Study : B5X3C6_SALSA (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: DMS_A_4(5ALO) / Model_57(5ALO/A) = [3.1] Download371.9711.75MMLMKKMRTAARLRSQLWSLKMPSLCHRSFAAISTYKAVIFDMYGVLIPSPVKLATVFEQQNSVPLGTLGRAIRTGGELNAWKRFMRGEIGAEEFVEAFGRQCSEIAGCPVPIGSFLSDLTSGPMTRPLPVMMKAILCARSRGLKTAVLSNNFFQLNGDPFLPLDHSLFDVIVESCREGLSKPDPRIYHLCLNRLGVSAHEAVFLDDLELNVKAAVQLGMHAIKVGDLAVSVKELEGMLGIPLSGFVPGPDSAPWATKLPMDRLTQYLRKALHLSDEDPVAVQQLSPSQSNSLYHLTTGGRHLLLRKQQKTSRAMETEYRMLKSLNGSSIPVPEIIDLCEDPSVLGAPFLLMEVCLGRMFSDHSLPGLTPGDRRALYQAMQHTLCQIHCLDTRVVGLEDYDEPVDYMGLQVRWWTQQYRDSETPPIPAMERLIQWLPLHLPKHQRTTLIHGSFRLENLVFHAEKPEVVAVMDWGRSRLGDPLIDLTFSCMGHCLPQDNPLLTGISDRGLVQLGIPTVEEVMGQYCSSMGLEEGIPDWNFYMAFHLFCLAASHQGESKSTIAGTRT
Complex: DMS_A_4(5AKH) / Model_76(5AKH/A) = [3.1] Download413.4911.75MMLMKKMRTAARLRSQLWSLKMPSLCHRSFAAISTYKAVIFDMYGVLIPSPVKLATVFEQQNSVPLGTLGRAIRTGGELNAWKRFMRGEIGAEEFVEAFGRQCSEIAGCPVPIGSFLSDLTSGPMTRPLPVMMKAILCARSRGLKTAVLSNNFFQLNGDPFLPLDHSLFDVIVESCREGLSKPDPRIYHLCLNRLGVSAHEAVFLDDLELNVKAAVQLGMHAIKVGDLAVSVKELEGMLGIPLSGFVPGPDSAPWATKLPMDRLTQYLRKALHLSDEDPVAVQQLSPSQSNSLYHLTTGGRHLLLRKQQKTSRAMETEYRMLKSLNGSSIPVPEIIDLCEDPSVLGAPFLLMEVCLGRMFSDHSLPGLTPGDRRALYQAMQHTLCQIHCLDTRVVGLEDYDEPVDYMGLQVRWWTQQYRDSETPPIPAMERLIQWLPLHLPKHQRTTLIHGSFRLENLVFHAEKPEVVAVMDWGRSRLGDPLIDLTFSCMGHCLPQDNPLLTGISDRGLVQLGIPTVEEVMGQYCSSMGLEEGIPDWNFYMAFHLFCLAASHQGESKSTIAGTRT
Complex: DMS_A_4(5AKX) / Model_71(5AKX/A) = [3.1] Download396.285.33MMLMKKMRTAARLRSQLWSLKMPSLCHRSFAAISTYKAVIFDMYGVLIPSPVKLATVFEQQNSVPLGTLGRAIRTGGELNAWKRFMRGEIGAEEFVEAFGRQCSEIAGCPVPIGSFLSDLTSGPMTRPLPVMMKAILCARSRGLKTAVLSNNFFQLNGDPFLPLDHSLFDVIVESCREGLSKPDPRIYHLCLNRLGVSAHEAVFLDDLELNVKAAVQLGMHAIKVGDLAVSVKELEGMLGIPLSGFVPGPDSAPWATKLPMDRLTQYLRKALHLSDEDPVAVQQLSPSQSNSLYHLTTGGRHLLLRKQQKTSRAMETEYRMLKSLNGSSIPVPEIIDLCEDPSVLGAPFLLMEVCLGRMFSDHSLPGLTPGDRRALYQAMQHTLCQIHCLDTRVVGLEDYDEPVDYMGLQVRWWTQQYRDSETPPIPAMERLIQWLPLHLPKHQRTTLIHGSFRLENLVFHAEKPEVVAVMDWGRSRLGDPLIDLTFSCMGHCLPQDNPLLTGISDRGLVQLGIPTVEEVMGQYCSSMGLEEGIPDWNFYMAFHLFCLAASHQGESKSTIAGTRT
Complex: DMS_A_3(5ALU) / Model_51(5ALU/A) = [3.1] Download402.9811.75MMLMKKMRTAARLRSQLWSLKMPSLCHRSFAAISTYKAVIFDMYGVLIPSPVKLATVFEQQNSVPLGTLGRAIRTGGELNAWKRFMRGEIGAEEFVEAFGRQCSEIAGCPVPIGSFLSDLTSGPMTRPLPVMMKAILCARSRGLKTAVLSNNFFQLNGDPFLPLDHSLFDVIVESCREGLSKPDPRIYHLCLNRLGVSAHEAVFLDDLELNVKAAVQLGMHAIKVGDLAVSVKELEGMLGIPLSGFVPGPDSAPWATKLPMDRLTQYLRKALHLSDEDPVAVQQLSPSQSNSLYHLTTGGRHLLLRKQQKTSRAMETEYRMLKSLNGSSIPVPEIIDLCEDPSVLGAPFLLMEVCLGRMFSDHSLPGLTPGDRRALYQAMQHTLCQIHCLDTRVVGLEDYDEPVDYMGLQVRWWTQQYRDSETPPIPAMERLIQWLPLHLPKHQRTTLIHGSFRLENLVFHAEKPEVVAVMDWGRSRLGDPLIDLTFSCMGHCLPQDNPLLTGISDRGLVQLGIPTVEEVMGQYCSSMGLEEGIPDWNFYMAFHLFCLAASHQGESKSTIAGTRT
Complex: DMS_A_4(5ALW) / Model_49(5ALW/A) = [3.1] Download362.5011.75MMLMKKMRTAARLRSQLWSLKMPSLCHRSFAAISTYKAVIFDMYGVLIPSPVKLATVFEQQNSVPLGTLGRAIRTGGELNAWKRFMRGEIGAEEFVEAFGRQCSEIAGCPVPIGSFLSDLTSGPMTRPLPVMMKAILCARSRGLKTAVLSNNFFQLNGDPFLPLDHSLFDVIVESCREGLSKPDPRIYHLCLNRLGVSAHEAVFLDDLELNVKAAVQLGMHAIKVGDLAVSVKELEGMLGIPLSGFVPGPDSAPWATKLPMDRLTQYLRKALHLSDEDPVAVQQLSPSQSNSLYHLTTGGRHLLLRKQQKTSRAMETEYRMLKSLNGSSIPVPEIIDLCEDPSVLGAPFLLMEVCLGRMFSDHSLPGLTPGDRRALYQAMQHTLCQIHCLDTRVVGLEDYDEPVDYMGLQVRWWTQQYRDSETPPIPAMERLIQWLPLHLPKHQRTTLIHGSFRLENLVFHAEKPEVVAVMDWGRSRLGDPLIDLTFSCMGHCLPQDNPLLTGISDRGLVQLGIPTVEEVMGQYCSSMGLEEGIPDWNFYMAFHLFCLAASHQGESKSTIAGTRT
Consensus
[pKd Mean = 3.10]
-389
(s=19)
10
(s=2)
MMLMKKMRTAARLRSQLWSLKMPSLCHRSFAAISTYKAVIFDMYGVLIPSPVKLATVFEQQNSVPLGTLGRAIRTGGELNAWKRFMRGEIGAEEFVEAFGRQCSEIAGCPVPIGSFLSDLTSGPMTRPLPVMMKAILCARSRGLKTAVLSNNFFQLNGDPFLPLDHSLFDVIVESCREGLSKPDPRIYHLCLNRLGVSAHEAVFLDDLELNVKAAVQLGMHAIKVGDLAVSVKELEGMLGIPLSGFVPGPDSAPWATKLPMDRLTQYLRKALHLSDEDPVAVQQLSPSQSNSLYHLTTGGRHLLLRKQQKTSRAMETEYRMLKSLNGSSIPVPEIIDLCEDPSVLGAPFLLMEVCLGRMFSDHSLPGLTPGDRRALYQAMQHTLCQIHCLDTRVVGLEDYDEPVDYMGLQVRWWTQQYRDSETPPIPAMERLIQWLPLHLPKHQRTTLIHGSFRLENLVFHAEKPEVVAVMDWGRSRLGDPLIDLTFSCMGHCLPQDNPLLTGISDRGLVQLGIPTVEEVMGQYCSSMGLEEGIPDWNFYMAFHLFCLAASHQGESKSTIAGTRT