Study : PA4190 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: GOL_A_9(4K22) / Model_2(4K22/A) = [3.2] Download568.4934.59MTDNHIDVLINGCGIGGAMLAYLLGRQGHRVVVVEQARRERAINGADLLKPAGIRVVEAAGLLAEVTRRGGRVRHELEVYHDGELLRYFNYSSVDARGYFILMPCESLRRLVLEKIDGEATVEMLFETRIEAVQRDERHAIDQVRLNDGRVLRPRVVVGADGIASYVRRRLLDIDVERRPYPSPMLVGTFALAPCVAERNRLYVDSQGGLAYFYPIGFDRARLVVSFPREEARELMADTRGESLRRRLQRFVGDESAEAIAAVTGTSRFKGIPIGYLNLDRYWADNVAMLGDAIHNVHPITGQGMNLAIEDASALADALDLALRDACALEDALAGYQAERFPVNQAIVSYGHALATSLEDRQRFAGVFDTALQGSSRTPEALGGERSYQPVRSPAPLG
Complex: FAD_A_2(2X3N) / Model_1(2X3N/A) = [12.2] Download711.9915.80MTDNHIDVLINGCGIGGAMLAYLLGRQGHRVVVVEQARRERAINGADLLKPAGIRVVEAAGLLAEVTRRGGRVRHELEVYHDGELLRYFNYSSVDARGYFILMPCESLRRLVLEKIDGEATVEMLFETRIEAVQRDERHAIDQVRLNDGRVLRPRVVVGADGIASYVRRRLLDIDVERRPYPSPMLVGTFALAPCVAERNRLYVDSQGGLAYFYPIGFDRARLVVSFPREEARELMADTRGESLRRRLQRFVGDESAEAIAAVTGTSRFKGIPIGYLNLDRYWADNVAMLGDAIHNVHPITGQGMNLAIEDASALADALDLALRDACALEDALAGYQAERFPVNQAIVSYGHALATSLEDRQRFAGVFDTALQGSSRTPEALGGERSYQPVRSPAPLG
Consensus
[pKd Mean = 7.70]
-640
(s=71)
25
(s=9)
MTDNHIDVLINGCGIGGAMLAYLLGRQGHRVVVVEQARRERAINGADLLKPAGIRVVEAAGLLAEVTRRGGRVRHELEVYHDGELLRYFNYSSVDARGYFILMPCESLRRLVLEKIDGEATVEMLFETRIEAVQRDERHAIDQVRLNDGRVLRPRVVVGADGIASYVRRRLLDIDVERRPYPSPMLVGTFALAPCVAERNRLYVDSQGGLAYFYPIGFDRARLVVSFPREEARELMADTRGESLRRRLQRFVGDESAEAIAAVTGTSRFKGIPIGYLNLDRYWADNVAMLGDAIHNVHPITGQGMNLAIEDASALADALDLALRDACALEDALAGYQAERFPVNQAIVSYGHALATSLEDRQRFAGVFDTALQGSSRTPEALGGERSYQPVRSPAPLG