Study : bsu02090 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C3_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 C3_S1
Complex: EDO_B_10(3IF6) / Model_80(3IF6/B) = [3.1] Download198.9934.60MKKWIYVVLVLSIAGIGGFSVHAASSAHEKHLNVSKMNVDDEFKDTDGTFILHDLQKDQTFVYNRKRANQRQTPQSTFKVVNALIGLQVKAVRDEYDVKRWDGVKREFESWNRDHTLGSAMRESAIWYYQALARDIGEERMKTWLHTLSYGNEDISGGIDQFWLQSSLTISPLEQETFLEKLAKEELPFDKPVMKIVKRMMIQEEGDHYTLYGKTGTRLTDMGLGWFVGFIKTEHGSYVFVTNVDDSGTKAKNITVDILKKYGLITS
Complex: TLA_B_7(3IF6) / Model_80(3IF6/B) = [3.1] Download475.995.00MKKWIYVVLVLSIAGIGGFSVHAASSAHEKHLNVSKMNVDDEFKDTDGTFILHDLQKDQTFVYNRKRANQRQTPQSTFKVVNALIGLQVKAVRDEYDVKRWDGVKREFESWNRDHTLGSAMRESAIWYYQALARDIGEERMKTWLHTLSYGNEDISGGIDQFWLQSSLTISPLEQETFLEKLAKEELPFDKPVMKIVKRMMIQEEGDHYTLYGKTGTRLTDMGLGWFVGFIKTEHGSYVFVTNVDDSGTKAKNITVDILKKYGLITS
Complex: FLC_A_3(5CTM) / Model_114(5CTM/A) = [3.2] Download484.88-4.87MKKWIYVVLVLSIAGIGGFSVHAASSAHEKHLNVSKMNVDDEFKDTDGTFILHDLQKDQTFVYNRKRANQRQTPQSTFKVVNALIGLQVKAVRDEYDVKRWDGVKREFESWNRDHTLGSAMRESAIWYYQALARDIGEERMKTWLHTLSYGNEDISGGIDQFWLQSSLTISPLEQETFLEKLAKEELPFDKPVMKIVKRMMIQEEGDHYTLYGKTGTRLTDMGLGWFVGFIKTEHGSYVFVTNVDDSGTKAKNITVDILKKYGLITS
Complex: GOL_A_6(2IWB) / Model_81(2IWB/A) = [3.2] Download485.2437.46MKKWIYVVLVLSIAGIGGFSVHAASSAHEKHLNVSKMNVDDEFKDTDGTFILHDLQKDQTFVYNRKRANQRQTPQSTFKVVNALIGLQVKAVRDEYDVKRWDGVKREFESWNRDHTLGSAMRESAIWYYQALARDIGEERMKTWLHTLSYGNEDISGGIDQFWLQSSLTISPLEQETFLEKLAKEELPFDKPVMKIVKRMMIQEEGDHYTLYGKTGTRLTDMGLGWFVGFIKTEHGSYVFVTNVDDSGTKAKNITVDILKKYGLITS
Complex: GOL_A_6(2IWB) / Model_112(2IWB/A) = [3.2] Download391.6137.46MKKWIYVVLVLSIAGIGGFSVHAASSAHEKHLNVSKMNVDDEFKDTDGTFILHDLQKDQTFVYNRKRANQRQTPQSTFKVVNALIGLQVKAVRDEYDVKRWDGVKREFESWNRDHTLGSAMRESAIWYYQALARDIGEERMKTWLHTLSYGNEDISGGIDQFWLQSSLTISPLEQETFLEKLAKEELPFDKPVMKIVKRMMIQEEGDHYTLYGKTGTRLTDMGLGWFVGFIKTEHGSYVFVTNVDDSGTKAKNITVDILKKYGLITS
Consensus
[pKd Mean = 3.16]
-407
(s=109)
21
(s=18)
MKKWIYVVLVLSIAGIGGFSVHAASSAHEKHLNVSKMNVDDEFKDTDGTFILHDLQKDQTFVYNRKRANQRQTPQSTFKVVNALIGLQVKAVRDEYDVKRWDGVKREFESWNRDHTLGSAMRESAIWYYQALARDIGEERMKTWLHTLSYGNEDISGGIDQFWLQSSLTISPLEQETFLEKLAKEELPFDKPVMKIVKRMMIQEEGDHYTLYGKTGTRLTDMGLGWFVGFIKTEHGSYVFVTNVDDSGTKAKNITVDILKKYGLITS