Study : PA3514 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C1_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 C1_S1
Complex: ADP_A_2(4U00) / Model_83(4U00/A) = [4.3] Download624.87-3.07MRATSLSILTSEHSLPVAAPADSRLEIEFRGVAKHFPGRGKSAATLAVQGLDLAIRRGEVVSIIGPSGCGKSTLLNMGAGLYAPSEGEVRVGGERVSGPVRKVSFMLQKDLLMPWRSIRRNIELGLEIDGRAAGERRAIAEEMLEKCHLAGFAEHYPFQLSGGMRQRAALARTLATDPQVLFLDEPFSALDAQTKMILQQDLARMLCEQRKTALFITHDLVEAIAMSDRILVMSARPGTIVEEIEVGLPLRDNPLERRKLPEIGPLVGRLMTLLKVGESAELH
Complex: ADP_A_5(2Q0H) / Model_66(2Q0H/A) = [4.5] Download1002.8613.71MRATSLSILTSEHSLPVAAPADSRLEIEFRGVAKHFPGRGKSAATLAVQGLDLAIRRGEVVSIIGPSGCGKSTLLNMGAGLYAPSEGEVRVGGERVSGPVRKVSFMLQKDLLMPWRSIRRNIELGLEIDGRAAGERRAIAEEMLEKCHLAGFAEHYPFQLSGGMRQRAALARTLATDPQVLFLDEPFSALDAQTKMILQQDLARMLCEQRKTALFITHDLVEAIAMSDRILVMSARPGTIVEEIEVGLPLRDNPLERRKLPEIGPLVGRLMTLLKVGESAELH
Complex: AGS_B_6(3C4J) / Model_63(3C4J/B) = [4.7] Download947.5214.50MRATSLSILTSEHSLPVAAPADSRLEIEFRGVAKHFPGRGKSAATLAVQGLDLAIRRGEVVSIIGPSGCGKSTLLNMGAGLYAPSEGEVRVGGERVSGPVRKVSFMLQKDLLMPWRSIRRNIELGLEIDGRAAGERRAIAEEMLEKCHLAGFAEHYPFQLSGGMRQRAALARTLATDPQVLFLDEPFSALDAQTKMILQQDLARMLCEQRKTALFITHDLVEAIAMSDRILVMSARPGTIVEEIEVGLPLRDNPLERRKLPEIGPLVGRLMTLLKVGESAELH
Complex: ANP_K_6(3C41) / Model_77(3C41/K) = [4.8] Download1052.6210.11MRATSLSILTSEHSLPVAAPADSRLEIEFRGVAKHFPGRGKSAATLAVQGLDLAIRRGEVVSIIGPSGCGKSTLLNMGAGLYAPSEGEVRVGGERVSGPVRKVSFMLQKDLLMPWRSIRRNIELGLEIDGRAAGERRAIAEEMLEKCHLAGFAEHYPFQLSGGMRQRAALARTLATDPQVLFLDEPFSALDAQTKMILQQDLARMLCEQRKTALFITHDLVEAIAMSDRILVMSARPGTIVEEIEVGLPLRDNPLERRKLPEIGPLVGRLMTLLKVGESAELH
Complex: AT4_A_5(2OLK) / Model_74(2OLK/A) = [5.0] Download780.0811.22MRATSLSILTSEHSLPVAAPADSRLEIEFRGVAKHFPGRGKSAATLAVQGLDLAIRRGEVVSIIGPSGCGKSTLLNMGAGLYAPSEGEVRVGGERVSGPVRKVSFMLQKDLLMPWRSIRRNIELGLEIDGRAAGERRAIAEEMLEKCHLAGFAEHYPFQLSGGMRQRAALARTLATDPQVLFLDEPFSALDAQTKMILQQDLARMLCEQRKTALFITHDLVEAIAMSDRILVMSARPGTIVEEIEVGLPLRDNPLERRKLPEIGPLVGRLMTLLKVGESAELH
Consensus
[pKd Mean = 4.66]
-881
(s=157)
9
(s=6)
MRATSLSILTSEHSLPVAAPADSRLEIEFRGVAKHFPGRGKSAATLAVQGLDLAIRRGEVVSIIGPSGCGKSTLLNMGAGLYAPSEGEVRVGGERVSGPVRKVSFMLQKDLLMPWRSIRRNIELGLEIDGRAAGERRAIAEEMLEKCHLAGFAEHYPFQLSGGMRQRAALARTLATDPQVLFLDEPFSALDAQTKMILQQDLARMLCEQRKTALFITHDLVEAIAMSDRILVMSARPGTIVEEIEVGLPLRDNPLERRKLPEIGPLVGRLMTLLKVGESAELH