Study : bsu19190 (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: ACP_B_5(3GIE) / Model_14(3GIE/B) = [3.7] Download829.0414.08MIKNHFTFQKLNGITPYIWTIFFILPFYFIWKSSSTFVIIVGIILTLLFFSVYRFAFVSKGWTIYLWGFLLIGISTASITLFSYIYFAFFIAYFIGNIKERVPFHILYYVHLISAAVAANFSLVLKKEFFLTQIPFVVITLISAILLPFSIKSRKERERLEEKLEDANERIAELVKLEERQRIARDLHDTLGQKLSLIGLKSDLARKLIYKDPEQAARELKSVQQTARTSLNEVRKIVSSMKGIRLKDELINIKQILEAADIMFIYEEEKWPENISLLNENILSMCLKEAVTNVVKHSQAKTCRVDIQQLWKEVVITVSDDGTFKGEENSFSKGHGLLGMRERLEFANGSLHIDTENGTKLTMAIPNNSK
Complex: ACP_A_3(3GIG) / Model_1(3GIG/A) = [4.0] Download1028.5412.13MIKNHFTFQKLNGITPYIWTIFFILPFYFIWKSSSTFVIIVGIILTLLFFSVYRFAFVSKGWTIYLWGFLLIGISTASITLFSYIYFAFFIAYFIGNIKERVPFHILYYVHLISAAVAANFSLVLKKEFFLTQIPFVVITLISAILLPFSIKSRKERERLEEKLEDANERIAELVKLEERQRIARDLHDTLGQKLSLIGLKSDLARKLIYKDPEQAARELKSVQQTARTSLNEVRKIVSSMKGIRLKDELINIKQILEAADIMFIYEEEKWPENISLLNENILSMCLKEAVTNVVKHSQAKTCRVDIQQLWKEVVITVSDDGTFKGEENSFSKGHGLLGMRERLEFANGSLHIDTENGTKLTMAIPNNSK
Complex: ADP_A_3(3GIF) / Model_2(3GIF/A) = [4.7] Download1224.289.42MIKNHFTFQKLNGITPYIWTIFFILPFYFIWKSSSTFVIIVGIILTLLFFSVYRFAFVSKGWTIYLWGFLLIGISTASITLFSYIYFAFFIAYFIGNIKERVPFHILYYVHLISAAVAANFSLVLKKEFFLTQIPFVVITLISAILLPFSIKSRKERERLEEKLEDANERIAELVKLEERQRIARDLHDTLGQKLSLIGLKSDLARKLIYKDPEQAARELKSVQQTARTSLNEVRKIVSSMKGIRLKDELINIKQILEAADIMFIYEEEKWPENISLLNENILSMCLKEAVTNVVKHSQAKTCRVDIQQLWKEVVITVSDDGTFKGEENSFSKGHGLLGMRERLEFANGSLHIDTENGTKLTMAIPNNSK
Complex: ACP_A_5(3EHF) / Model_5(3EHF/A) = [6.2] Download1078.1816.43MIKNHFTFQKLNGITPYIWTIFFILPFYFIWKSSSTFVIIVGIILTLLFFSVYRFAFVSKGWTIYLWGFLLIGISTASITLFSYIYFAFFIAYFIGNIKERVPFHILYYVHLISAAVAANFSLVLKKEFFLTQIPFVVITLISAILLPFSIKSRKERERLEEKLEDANERIAELVKLEERQRIARDLHDTLGQKLSLIGLKSDLARKLIYKDPEQAARELKSVQQTARTSLNEVRKIVSSMKGIRLKDELINIKQILEAADIMFIYEEEKWPENISLLNENILSMCLKEAVTNVVKHSQAKTCRVDIQQLWKEVVITVSDDGTFKGEENSFSKGHGLLGMRERLEFANGSLHIDTENGTKLTMAIPNNSK
Complex: ACP_A_3(3EHJ) / Model_4(3EHJ/A) = [6.7] Download1097.7916.14MIKNHFTFQKLNGITPYIWTIFFILPFYFIWKSSSTFVIIVGIILTLLFFSVYRFAFVSKGWTIYLWGFLLIGISTASITLFSYIYFAFFIAYFIGNIKERVPFHILYYVHLISAAVAANFSLVLKKEFFLTQIPFVVITLISAILLPFSIKSRKERERLEEKLEDANERIAELVKLEERQRIARDLHDTLGQKLSLIGLKSDLARKLIYKDPEQAARELKSVQQTARTSLNEVRKIVSSMKGIRLKDELINIKQILEAADIMFIYEEEKWPENISLLNENILSMCLKEAVTNVVKHSQAKTCRVDIQQLWKEVVITVSDDGTFKGEENSFSKGHGLLGMRERLEFANGSLHIDTENGTKLTMAIPNNSK
Consensus
[pKd Mean = 5.06]
-1051
(s=128)
13
(s=2)
MIKNHFTFQKLNGITPYIWTIFFILPFYFIWKSSSTFVIIVGIILTLLFFSVYRFAFVSKGWTIYLWGFLLIGISTASITLFSYIYFAFFIAYFIGNIKERVPFHILYYVHLISAAVAANFSLVLKKEFFLTQIPFVVITLISAILLPFSIKSRKERERLEEKLEDANERIAELVKLEERQRIARDLHDTLGQKLSLIGLKSDLARKLIYKDPEQAARELKSVQQTARTSLNEVRKIVSSMKGIRLKDELINIKQILEAADIMFIYEEEKWPENISLLNENILSMCLKEAVTNVVKHSQAKTCRVDIQQLWKEVVITVSDDGTFKGEENSFSKGHGLLGMRERLEFANGSLHIDTENGTKLTMAIPNNSK