Study : bsu34120 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: B2G_A_5(1UR4) / Model_3(1UR4/A) = [4.2] Download1267.4618.22MKSKVKMFFAAAIVWSACSSTGYAAAIEKEKHVSELRAEDLFVKKVEGMNKDFIKGADVSSVIALENSGVTFYNTNGKRQDIFTTLKQAGVNYVRVRIWNHPYDSNGNGYGGGNNDVQKAIEIGKRATANGMKVLADFHYSDFWADPAKQKVPKAWANLSFEAKKAKLYEYTKQSLQKMIKEGVDIGMVQVGNETTGGFAGETDWTKMCQLFNEGSRAVRETNSNILVALHFTNPETAGRYSFIAETLSKNKVDYDVFASSYYPFWHGTLQNLTSVLKAVANTYGKKVMVAETSYTYTAEDGDGHGNTAPKSGQTLPYPISVQGQATAVRDVMEAVANTGKAGLGVFYWEPAWIPVGPKTQIEKNKVLWETYGSGWASSYAAEYDPEDAGKWYGGSAVDNQALFDFNGHPLPSLQVFQYAESGHIPKKR
Complex: B2G_A_5(1UR4) / Model_53(1UR4/A) = [4.2] Download1232.3818.22MKSKVKMFFAAAIVWSACSSTGYAAAIEKEKHVSELRAEDLFVKKVEGMNKDFIKGADVSSVIALENSGVTFYNTNGKRQDIFTTLKQAGVNYVRVRIWNHPYDSNGNGYGGGNNDVQKAIEIGKRATANGMKVLADFHYSDFWADPAKQKVPKAWANLSFEAKKAKLYEYTKQSLQKMIKEGVDIGMVQVGNETTGGFAGETDWTKMCQLFNEGSRAVRETNSNILVALHFTNPETAGRYSFIAETLSKNKVDYDVFASSYYPFWHGTLQNLTSVLKAVANTYGKKVMVAETSYTYTAEDGDGHGNTAPKSGQTLPYPISVQGQATAVRDVMEAVANTGKAGLGVFYWEPAWIPVGPKTQIEKNKVLWETYGSGWASSYAAEYDPEDAGKWYGGSAVDNQALFDFNGHPLPSLQVFQYAESGHIPKKR
Complex: B2G_B_9(1UR4) / Model_23(1UR4/B) = [4.4] Download1218.5918.22MKSKVKMFFAAAIVWSACSSTGYAAAIEKEKHVSELRAEDLFVKKVEGMNKDFIKGADVSSVIALENSGVTFYNTNGKRQDIFTTLKQAGVNYVRVRIWNHPYDSNGNGYGGGNNDVQKAIEIGKRATANGMKVLADFHYSDFWADPAKQKVPKAWANLSFEAKKAKLYEYTKQSLQKMIKEGVDIGMVQVGNETTGGFAGETDWTKMCQLFNEGSRAVRETNSNILVALHFTNPETAGRYSFIAETLSKNKVDYDVFASSYYPFWHGTLQNLTSVLKAVANTYGKKVMVAETSYTYTAEDGDGHGNTAPKSGQTLPYPISVQGQATAVRDVMEAVANTGKAGLGVFYWEPAWIPVGPKTQIEKNKVLWETYGSGWASSYAAEYDPEDAGKWYGGSAVDNQALFDFNGHPLPSLQVFQYAESGHIPKKR
Complex: B2G_A_5(1UR4) / Model_33(1UR4/A) = [4.5] Download1385.7718.22MKSKVKMFFAAAIVWSACSSTGYAAAIEKEKHVSELRAEDLFVKKVEGMNKDFIKGADVSSVIALENSGVTFYNTNGKRQDIFTTLKQAGVNYVRVRIWNHPYDSNGNGYGGGNNDVQKAIEIGKRATANGMKVLADFHYSDFWADPAKQKVPKAWANLSFEAKKAKLYEYTKQSLQKMIKEGVDIGMVQVGNETTGGFAGETDWTKMCQLFNEGSRAVRETNSNILVALHFTNPETAGRYSFIAETLSKNKVDYDVFASSYYPFWHGTLQNLTSVLKAVANTYGKKVMVAETSYTYTAEDGDGHGNTAPKSGQTLPYPISVQGQATAVRDVMEAVANTGKAGLGVFYWEPAWIPVGPKTQIEKNKVLWETYGSGWASSYAAEYDPEDAGKWYGGSAVDNQALFDFNGHPLPSLQVFQYAESGHIPKKR
Complex: B4G_B_7(2J74) / Model_21(2J74/B) = [5.0] Download1239.7418.22MKSKVKMFFAAAIVWSACSSTGYAAAIEKEKHVSELRAEDLFVKKVEGMNKDFIKGADVSSVIALENSGVTFYNTNGKRQDIFTTLKQAGVNYVRVRIWNHPYDSNGNGYGGGNNDVQKAIEIGKRATANGMKVLADFHYSDFWADPAKQKVPKAWANLSFEAKKAKLYEYTKQSLQKMIKEGVDIGMVQVGNETTGGFAGETDWTKMCQLFNEGSRAVRETNSNILVALHFTNPETAGRYSFIAETLSKNKVDYDVFASSYYPFWHGTLQNLTSVLKAVANTYGKKVMVAETSYTYTAEDGDGHGNTAPKSGQTLPYPISVQGQATAVRDVMEAVANTGKAGLGVFYWEPAWIPVGPKTQIEKNKVLWETYGSGWASSYAAEYDPEDAGKWYGGSAVDNQALFDFNGHPLPSLQVFQYAESGHIPKKR
Consensus
[pKd Mean = 4.46]
-1268
(s=60)
18
(s=0)
MKSKVKMFFAAAIVWSACSSTGYAAAIEKEKHVSELRAEDLFVKKVEGMNKDFIKGADVSSVIALENSGVTFYNTNGKRQDIFTTLKQAGVNYVRVRIWNHPYDSNGNGYGGGNNDVQKAIEIGKRATANGMKVLADFHYSDFWADPAKQKVPKAWANLSFEAKKAKLYEYTKQSLQKMIKEGVDIGMVQVGNETTGGFAGETDWTKMCQLFNEGSRAVRETNSNILVALHFTNPETAGRYSFIAETLSKNKVDYDVFASSYYPFWHGTLQNLTSVLKAVANTYGKKVMVAETSYTYTAEDGDGHGNTAPKSGQTLPYPISVQGQATAVRDVMEAVANTGKAGLGVFYWEPAWIPVGPKTQIEKNKVLWETYGSGWASSYAAEYDPEDAGKWYGGSAVDNQALFDFNGHPLPSLQVFQYAESGHIPKKR