Study : PA3262 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: DMS_B_2(1Q1C) / Model_100(1Q1C/A) = [3.3] Download171.8941.33MKQHRLAAAIALVGLVLSGCDSQTNVELKTPAQKASYGIGLNMGKSLSQEGMDDLDSKAVAKGIEDALGKKKQQLTDEELTEAFAFLQKRAEERMAAIGDENAKAGKKFLEENGKRDGVTTTASGLQYEIVKKADGPQPKATDVVTVHYEGRLTDGTVFDSSIERGSPIDLPVSGVIPGWVEALQLMHVGEKIKLYIPSELAYGAQSPSPAIPANSVLVFDMELLGIKDPSKPDAEPEAGAAAQPEAKADAKK
Complex: 4GI_B_6(4GIV) / Model_25(4GIV/B) = [3.3] Download625.7346.00MKQHRLAAAIALVGLVLSGCDSQTNVELKTPAQKASYGIGLNMGKSLSQEGMDDLDSKAVAKGIEDALGKKKQQLTDEELTEAFAFLQKRAEERMAAIGDENAKAGKKFLEENGKRDGVTTTASGLQYEIVKKADGPQPKATDVVTVHYEGRLTDGTVFDSSIERGSPIDLPVSGVIPGWVEALQLMHVGEKIKLYIPSELAYGAQSPSPAIPANSVLVFDMELLGIKDPSKPDAEPEAGAAAQPEAKADAKK
Complex: D44_A_4(4J4N) / Model_89(4J4N/B) = [3.4] Download1005.0232.33MKQHRLAAAIALVGLVLSGCDSQTNVELKTPAQKASYGIGLNMGKSLSQEGMDDLDSKAVAKGIEDALGKKKQQLTDEELTEAFAFLQKRAEERMAAIGDENAKAGKKFLEENGKRDGVTTTASGLQYEIVKKADGPQPKATDVVTVHYEGRLTDGTVFDSSIERGSPIDLPVSGVIPGWVEALQLMHVGEKIKLYIPSELAYGAQSPSPAIPANSVLVFDMELLGIKDPSKPDAEPEAGAAAQPEAKADAKK
Complex: 861_B_6(4G50) / Model_26(4G50/B) = [3.5] Download868.8233.67MKQHRLAAAIALVGLVLSGCDSQTNVELKTPAQKASYGIGLNMGKSLSQEGMDDLDSKAVAKGIEDALGKKKQQLTDEELTEAFAFLQKRAEERMAAIGDENAKAGKKFLEENGKRDGVTTTASGLQYEIVKKADGPQPKATDVVTVHYEGRLTDGTVFDSSIERGSPIDLPVSGVIPGWVEALQLMHVGEKIKLYIPSELAYGAQSPSPAIPANSVLVFDMELLGIKDPSKPDAEPEAGAAAQPEAKADAKK
Complex: DMS_H_8(1D7H) / Model_68(1D7H/B) = [3.6] Download494.3848.10MKQHRLAAAIALVGLVLSGCDSQTNVELKTPAQKASYGIGLNMGKSLSQEGMDDLDSKAVAKGIEDALGKKKQQLTDEELTEAFAFLQKRAEERMAAIGDENAKAGKKFLEENGKRDGVTTTASGLQYEIVKKADGPQPKATDVVTVHYEGRLTDGTVFDSSIERGSPIDLPVSGVIPGWVEALQLMHVGEKIKLYIPSELAYGAQSPSPAIPANSVLVFDMELLGIKDPSKPDAEPEAGAAAQPEAKADAKK
Consensus
[pKd Mean = 3.42]
-633
(s=291)
40
(s=6)
MKQHRLAAAIALVGLVLSGCDSQTNVELKTPAQKASYGIGLNMGKSLSQEGMDDLDSKAVAKGIEDALGKKKQQLTDEELTEAFAFLQKRAEERMAAIGDENAKAGKKFLEENGKRDGVTTTASGLQYEIVKKADGPQPKATDVVTVHYEGRLTDGTVFDSSIERGSPIDLPVSGVIPGWVEALQLMHVGEKIKLYIPSELAYGAQSPSPAIPANSVLVFDMELLGIKDPSKPDAEPEAGAAAQPEAKADAKK