Study : jhp_0037 (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: M1P_B_10(2X65) / Model_21(2X65/B) = [3.9] Download719.89-4.57MKIKNVLLSGGSGKRLWPLSRSLYPKQFLKLFDHKSLFELSFKRNASLVDETLIVCNEKHYFLALEEIKNEIKNKSVGFLLESLSKNTANAIALSALMSDKEDLLIVTPSDHLIKDFQAYENAIKKAINLAQKGFLVTFGISIEKPNTEFGYIESPNGLDVKRFIEKPSLEKAIEFQKSGGFYFNSGMFVFQAGVFLDELKKHAPTILKGCERAFESLENTHFFEQKIARLSEKSMQDLEDMSIDIALMQQSHKIKMVELNAKWSDLGNFNALFEEAANGTKENVSLNQTPIFAKESTNNLVFSHKVSALLGVEDLAIIDTKDALLVAHKDKAKDLKALVSEIETHNQELLQTHTKVYRPWGSYEVLHESGCYKVKILEVKPNARLSLQKHFHRSEHWVVISGMASVELDHQSFELQANESTYIPKNTLHRLANYGKIPLIIIEVQVGEYVGEDDIVRVDDDFNRQNQNA
Complex: GTP_B_5(2X60) / Model_22(2X60/B) = [7.1] Download1125.193.40MKIKNVLLSGGSGKRLWPLSRSLYPKQFLKLFDHKSLFELSFKRNASLVDETLIVCNEKHYFLALEEIKNEIKNKSVGFLLESLSKNTANAIALSALMSDKEDLLIVTPSDHLIKDFQAYENAIKKAINLAQKGFLVTFGISIEKPNTEFGYIESPNGLDVKRFIEKPSLEKAIEFQKSGGFYFNSGMFVFQAGVFLDELKKHAPTILKGCERAFESLENTHFFEQKIARLSEKSMQDLEDMSIDIALMQQSHKIKMVELNAKWSDLGNFNALFEEAANGTKENVSLNQTPIFAKESTNNLVFSHKVSALLGVEDLAIIDTKDALLVAHKDKAKDLKALVSEIETHNQELLQTHTKVYRPWGSYEVLHESGCYKVKILEVKPNARLSLQKHFHRSEHWVVISGMASVELDHQSFELQANESTYIPKNTLHRLANYGKIPLIIIEVQVGEYVGEDDIVRVDDDFNRQNQNA
Complex: GDD_B_5(2X5Z) / Model_23(2X5Z/B) = [7.2] Download1398.120.33MKIKNVLLSGGSGKRLWPLSRSLYPKQFLKLFDHKSLFELSFKRNASLVDETLIVCNEKHYFLALEEIKNEIKNKSVGFLLESLSKNTANAIALSALMSDKEDLLIVTPSDHLIKDFQAYENAIKKAINLAQKGFLVTFGISIEKPNTEFGYIESPNGLDVKRFIEKPSLEKAIEFQKSGGFYFNSGMFVFQAGVFLDELKKHAPTILKGCERAFESLENTHFFEQKIARLSEKSMQDLEDMSIDIALMQQSHKIKMVELNAKWSDLGNFNALFEEAANGTKENVSLNQTPIFAKESTNNLVFSHKVSALLGVEDLAIIDTKDALLVAHKDKAKDLKALVSEIETHNQELLQTHTKVYRPWGSYEVLHESGCYKVKILEVKPNARLSLQKHFHRSEHWVVISGMASVELDHQSFELQANESTYIPKNTLHRLANYGKIPLIIIEVQVGEYVGEDDIVRVDDDFNRQNQNA
Complex: GDD_A_3(2X5Z) / Model_4(2X5Z/A) = [7.3] Download1355.861.03MKIKNVLLSGGSGKRLWPLSRSLYPKQFLKLFDHKSLFELSFKRNASLVDETLIVCNEKHYFLALEEIKNEIKNKSVGFLLESLSKNTANAIALSALMSDKEDLLIVTPSDHLIKDFQAYENAIKKAINLAQKGFLVTFGISIEKPNTEFGYIESPNGLDVKRFIEKPSLEKAIEFQKSGGFYFNSGMFVFQAGVFLDELKKHAPTILKGCERAFESLENTHFFEQKIARLSEKSMQDLEDMSIDIALMQQSHKIKMVELNAKWSDLGNFNALFEEAANGTKENVSLNQTPIFAKESTNNLVFSHKVSALLGVEDLAIIDTKDALLVAHKDKAKDLKALVSEIETHNQELLQTHTKVYRPWGSYEVLHESGCYKVKILEVKPNARLSLQKHFHRSEHWVVISGMASVELDHQSFELQANESTYIPKNTLHRLANYGKIPLIIIEVQVGEYVGEDDIVRVDDDFNRQNQNA
Complex: GTP_A_3(2X60) / Model_5(2X60/A) = [7.8] Download1112.954.64MKIKNVLLSGGSGKRLWPLSRSLYPKQFLKLFDHKSLFELSFKRNASLVDETLIVCNEKHYFLALEEIKNEIKNKSVGFLLESLSKNTANAIALSALMSDKEDLLIVTPSDHLIKDFQAYENAIKKAINLAQKGFLVTFGISIEKPNTEFGYIESPNGLDVKRFIEKPSLEKAIEFQKSGGFYFNSGMFVFQAGVFLDELKKHAPTILKGCERAFESLENTHFFEQKIARLSEKSMQDLEDMSIDIALMQQSHKIKMVELNAKWSDLGNFNALFEEAANGTKENVSLNQTPIFAKESTNNLVFSHKVSALLGVEDLAIIDTKDALLVAHKDKAKDLKALVSEIETHNQELLQTHTKVYRPWGSYEVLHESGCYKVKILEVKPNARLSLQKHFHRSEHWVVISGMASVELDHQSFELQANESTYIPKNTLHRLANYGKIPLIIIEVQVGEYVGEDDIVRVDDDFNRQNQNA
Consensus
[pKd Mean = 6.66]
-1142
(s=241)
0
(s=3)
MKIKNVLLSGGSGKRLWPLSRSLYPKQFLKLFDHKSLFELSFKRNASLVDETLIVCNEKHYFLALEEIKNEIKNKSVGFLLESLSKNTANAIALSALMSDKEDLLIVTPSDHLIKDFQAYENAIKKAINLAQKGFLVTFGISIEKPNTEFGYIESPNGLDVKRFIEKPSLEKAIEFQKSGGFYFNSGMFVFQAGVFLDELKKHAPTILKGCERAFESLENTHFFEQKIARLSEKSMQDLEDMSIDIALMQQSHKIKMVELNAKWSDLGNFNALFEEAANGTKENVSLNQTPIFAKESTNNLVFSHKVSALLGVEDLAIIDTKDALLVAHKDKAKDLKALVSEIETHNQELLQTHTKVYRPWGSYEVLHESGCYKVKILEVKPNARLSLQKHFHRSEHWVVISGMASVELDHQSFELQANESTYIPKNTLHRLANYGKIPLIIIEVQVGEYVGEDDIVRVDDDFNRQNQNA