Study : D8SXP9_SELML (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: EDO_A_10(5FTG) / Model_7(5FTG/A) = [3.1] Download771.7821.64VCRALIPELQDADDSDFDVCRINGGITNISDGRFLSFAVAKVSKKDQSVVVRVFGPATEGVIDRDREIQATCHLSRAGFCPELKGVFKNGIIQTFVTARTLTPEDFLDDAVVAKVAKELRRLHQQEVPGEKESMVWTEINRYFELASAVTKFESPEDQRKLEAVSFDELRQEINTLKEIGARLKGPVVYAHNDLLPGNVMVDAQGDKCYYFIDFEYSGYNYRGFDIGTHFNEYAGFDCDFCAYPSKDRQLNFLRHYLRPDDPEKATHEELEELFVEANFYALAAHITWSAWAIVQATSSAAIDFDYMSYFFKRMKMYREQKAKFLPVVRGFLAGKSK
Complex: EDO_A_10(5FTG) / Model_32(5FTG/A) = [3.1] Download774.4518.33VCRALIPELQDADDSDFDVCRINGGITNISDGRFLSFAVAKVSKKDQSVVVRVFGPATEGVIDRDREIQATCHLSRAGFCPELKGVFKNGIIQTFVTARTLTPEDFLDDAVVAKVAKELRRLHQQEVPGEKESMVWTEINRYFELASAVTKFESPEDQRKLEAVSFDELRQEINTLKEIGARLKGPVVYAHNDLLPGNVMVDAQGDKCYYFIDFEYSGYNYRGFDIGTHFNEYAGFDCDFCAYPSKDRQLNFLRHYLRPDDPEKATHEELEELFVEANFYALAAHITWSAWAIVQATSSAAIDFDYMSYFFKRMKMYREQKAKFLPVVRGFLAGKSK
Complex: 5R9_A_3(5EQP) / Model_19(5EQP/A) = [4.8] Download934.7521.41VCRALIPELQDADDSDFDVCRINGGITNISDGRFLSFAVAKVSKKDQSVVVRVFGPATEGVIDRDREIQATCHLSRAGFCPELKGVFKNGIIQTFVTARTLTPEDFLDDAVVAKVAKELRRLHQQEVPGEKESMVWTEINRYFELASAVTKFESPEDQRKLEAVSFDELRQEINTLKEIGARLKGPVVYAHNDLLPGNVMVDAQGDKCYYFIDFEYSGYNYRGFDIGTHFNEYAGFDCDFCAYPSKDRQLNFLRHYLRPDDPEKATHEELEELFVEANFYALAAHITWSAWAIVQATSSAAIDFDYMSYFFKRMKMYREQKAKFLPVVRGFLAGKSK
Complex: JH5_A_8(5AFV) / Model_6(5AFV/A) = [4.8] Download1093.4127.60VCRALIPELQDADDSDFDVCRINGGITNISDGRFLSFAVAKVSKKDQSVVVRVFGPATEGVIDRDREIQATCHLSRAGFCPELKGVFKNGIIQTFVTARTLTPEDFLDDAVVAKVAKELRRLHQQEVPGEKESMVWTEINRYFELASAVTKFESPEDQRKLEAVSFDELRQEINTLKEIGARLKGPVVYAHNDLLPGNVMVDAQGDKCYYFIDFEYSGYNYRGFDIGTHFNEYAGFDCDFCAYPSKDRQLNFLRHYLRPDDPEKATHEELEELFVEANFYALAAHITWSAWAIVQATSSAAIDFDYMSYFFKRMKMYREQKAKFLPVVRGFLAGKSK
Complex: 5R8_A_3(5EQE) / Model_18(5EQE/A) = [5.1] Download961.0823.38VCRALIPELQDADDSDFDVCRINGGITNISDGRFLSFAVAKVSKKDQSVVVRVFGPATEGVIDRDREIQATCHLSRAGFCPELKGVFKNGIIQTFVTARTLTPEDFLDDAVVAKVAKELRRLHQQEVPGEKESMVWTEINRYFELASAVTKFESPEDQRKLEAVSFDELRQEINTLKEIGARLKGPVVYAHNDLLPGNVMVDAQGDKCYYFIDFEYSGYNYRGFDIGTHFNEYAGFDCDFCAYPSKDRQLNFLRHYLRPDDPEKATHEELEELFVEANFYALAAHITWSAWAIVQATSSAAIDFDYMSYFFKRMKMYREQKAKFLPVVRGFLAGKSK
Consensus
[pKd Mean = 4.18]
-907
(s=121)
22
(s=3)
VCRALIPELQDADDSDFDVCRINGGITNISDGRFLSFAVAKVSKKDQSVVVRVFGPATEGVIDRDREIQATCHLSRAGFCPELKGVFKNGIIQTFVTARTLTPEDFLDDAVVAKVAKELRRLHQQEVPGEKESMVWTEINRYFELASAVTKFESPEDQRKLEAVSFDELRQEINTLKEIGARLKGPVVYAHNDLLPGNVMVDAQGDKCYYFIDFEYSGYNYRGFDIGTHFNEYAGFDCDFCAYPSKDRQLNFLRHYLRPDDPEKATHEELEELFVEANFYALAAHITWSAWAIVQATSSAAIDFDYMSYFFKRMKMYREQKAKFLPVVRGFLAGKSK