Study : bsu34070 (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: ACP_B_5(3GIE) / Model_11(3GIE/B) = [3.8] Download1263.9018.68MKKAISIFPKEFGFFPYIFLVYTIMPFLSLLKESGVKQGIGYGMLLLFVAAYRQLFCSVGKASFTYWLIVQMAVILMYSVFYNITYIYLGFFPANFVGYYKEKTNFNRAFCALIFILLFPCLYQFIANSVSLRELFSVLPFLVIMLISPFGIRSMFRRIELEAKLAQANEQIKELSKREERVRIARDLHDTLGHTLSLLTLKSQLIQRLAASDPERTKLEAKEMETSSRSALKQVRELVSDMRTVTITEELVNIQHILRAGNITFQYEGADDFSVISPVTQNIISMCMREAVTNIIKHSKATHCAITISQFADKMRIVIRDDGKGAPKEKMFGNGLWGMEERLMLIEGGLTVSDHNGTVVALTIPLIKKAE
Complex: ACP_A_3(3GIG) / Model_1(3GIG/A) = [4.1] Download741.6524.80MKKAISIFPKEFGFFPYIFLVYTIMPFLSLLKESGVKQGIGYGMLLLFVAAYRQLFCSVGKASFTYWLIVQMAVILMYSVFYNITYIYLGFFPANFVGYYKEKTNFNRAFCALIFILLFPCLYQFIANSVSLRELFSVLPFLVIMLISPFGIRSMFRRIELEAKLAQANEQIKELSKREERVRIARDLHDTLGHTLSLLTLKSQLIQRLAASDPERTKLEAKEMETSSRSALKQVRELVSDMRTVTITEELVNIQHILRAGNITFQYEGADDFSVISPVTQNIISMCMREAVTNIIKHSKATHCAITISQFADKMRIVIRDDGKGAPKEKMFGNGLWGMEERLMLIEGGLTVSDHNGTVVALTIPLIKKAE
Complex: ACP_A_5(3EHF) / Model_5(3EHF/A) = [5.7] Download1275.4618.61MKKAISIFPKEFGFFPYIFLVYTIMPFLSLLKESGVKQGIGYGMLLLFVAAYRQLFCSVGKASFTYWLIVQMAVILMYSVFYNITYIYLGFFPANFVGYYKEKTNFNRAFCALIFILLFPCLYQFIANSVSLRELFSVLPFLVIMLISPFGIRSMFRRIELEAKLAQANEQIKELSKREERVRIARDLHDTLGHTLSLLTLKSQLIQRLAASDPERTKLEAKEMETSSRSALKQVRELVSDMRTVTITEELVNIQHILRAGNITFQYEGADDFSVISPVTQNIISMCMREAVTNIIKHSKATHCAITISQFADKMRIVIRDDGKGAPKEKMFGNGLWGMEERLMLIEGGLTVSDHNGTVVALTIPLIKKAE
Complex: ACP_A_3(3EHJ) / Model_4(3EHJ/A) = [6.1] Download1238.9418.68MKKAISIFPKEFGFFPYIFLVYTIMPFLSLLKESGVKQGIGYGMLLLFVAAYRQLFCSVGKASFTYWLIVQMAVILMYSVFYNITYIYLGFFPANFVGYYKEKTNFNRAFCALIFILLFPCLYQFIANSVSLRELFSVLPFLVIMLISPFGIRSMFRRIELEAKLAQANEQIKELSKREERVRIARDLHDTLGHTLSLLTLKSQLIQRLAASDPERTKLEAKEMETSSRSALKQVRELVSDMRTVTITEELVNIQHILRAGNITFQYEGADDFSVISPVTQNIISMCMREAVTNIIKHSKATHCAITISQFADKMRIVIRDDGKGAPKEKMFGNGLWGMEERLMLIEGGLTVSDHNGTVVALTIPLIKKAE
Complex: ATP_A_2(3EHG) / Model_6(3EHG/A) = [7.6] Download1114.4417.96MKKAISIFPKEFGFFPYIFLVYTIMPFLSLLKESGVKQGIGYGMLLLFVAAYRQLFCSVGKASFTYWLIVQMAVILMYSVFYNITYIYLGFFPANFVGYYKEKTNFNRAFCALIFILLFPCLYQFIANSVSLRELFSVLPFLVIMLISPFGIRSMFRRIELEAKLAQANEQIKELSKREERVRIARDLHDTLGHTLSLLTLKSQLIQRLAASDPERTKLEAKEMETSSRSALKQVRELVSDMRTVTITEELVNIQHILRAGNITFQYEGADDFSVISPVTQNIISMCMREAVTNIIKHSKATHCAITISQFADKMRIVIRDDGKGAPKEKMFGNGLWGMEERLMLIEGGLTVSDHNGTVVALTIPLIKKAE
Consensus
[pKd Mean = 5.46]		-1126
(s=200)		19
(s=2)		MKKAISIFPKEFGFFPYIFLVYTIMPFLSLLKESGVKQGIGYGMLLLFVAAYRQLFCSVGKASFTYWLIVQMAVILMYSVFYNITYIYLGFFPANFVGYYKEKTNFNRAFCALIFILLFPCLYQFIANSVSLRELFSVLPFLVIMLISPFGIRSMFRRIELEAKLAQANEQIKELSKREERVRIARDLHDTLGHTLSLLTLKSQLIQRLAASDPERTKLEAKEMETSSRSALKQVRELVSDMRTVTITEELVNIQHILRAGNITFQYEGADDFSVISPVTQNIISMCMREAVTNIIKHSKATHCAITISQFADKMRIVIRDDGKGAPKEKMFGNGLWGMEERLMLIEGGLTVSDHNGTVVALTIPLIKKAE