Study : bsu24750 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: AMP_A_3(3JTF) / Model_3(3JTF/A) = [4.3] Download436.2837.53MPSLEKAVVLEFINLLAVAILILLTGFFVAVEFSIVKVRRSKIDQLVAKGKKGAKAAKHVITHLDEYLSACQLGITVAALGLGWLGEPTVQTLLRPLFHKAGLNESLTHLLSLVIAFLVVTYLNVVIGELAPKSFAIQKAESITLLFAKPLIWFYKIMFPFIWLLNHSARLITGVFGLKPASEHELAYTEEELRVLLAESYKSGEIRKSELKYMNNIFTFDKRMAKEIMVPRNEMVSLSLDEDSISNLQETVKQTKYTRYPVVREDKDNVIGVINMKEVLFSMLTKDFSIKKHQIEPFVQPVIHVIETIPIYKLLLKMQKERTHMAILIDEYGGTSGLVTVEDIIEEIVGEIRDEFDADEVPHIRELGKDHYLLNAKLLISDVNSLLGTDLSEAEVDTLGGWFLTQNIDAEPESAIEYDGYSFKVKDINSHHILFIEVKKAE
Complex: AMP_A_3(3LFR) / Model_4(3LFR/A) = [4.4] Download860.9037.31MPSLEKAVVLEFINLLAVAILILLTGFFVAVEFSIVKVRRSKIDQLVAKGKKGAKAAKHVITHLDEYLSACQLGITVAALGLGWLGEPTVQTLLRPLFHKAGLNESLTHLLSLVIAFLVVTYLNVVIGELAPKSFAIQKAESITLLFAKPLIWFYKIMFPFIWLLNHSARLITGVFGLKPASEHELAYTEEELRVLLAESYKSGEIRKSELKYMNNIFTFDKRMAKEIMVPRNEMVSLSLDEDSISNLQETVKQTKYTRYPVVREDKDNVIGVINMKEVLFSMLTKDFSIKKHQIEPFVQPVIHVIETIPIYKLLLKMQKERTHMAILIDEYGGTSGLVTVEDIIEEIVGEIRDEFDADEVPHIRELGKDHYLLNAKLLISDVNSLLGTDLSEAEVDTLGGWFLTQNIDAEPESAIEYDGYSFKVKDINSHHILFIEVKKAE
Complex: ADN_A_3(3OI8) / Model_5(3OI8/A) = [4.5] Download904.1527.81MPSLEKAVVLEFINLLAVAILILLTGFFVAVEFSIVKVRRSKIDQLVAKGKKGAKAAKHVITHLDEYLSACQLGITVAALGLGWLGEPTVQTLLRPLFHKAGLNESLTHLLSLVIAFLVVTYLNVVIGELAPKSFAIQKAESITLLFAKPLIWFYKIMFPFIWLLNHSARLITGVFGLKPASEHELAYTEEELRVLLAESYKSGEIRKSELKYMNNIFTFDKRMAKEIMVPRNEMVSLSLDEDSISNLQETVKQTKYTRYPVVREDKDNVIGVINMKEVLFSMLTKDFSIKKHQIEPFVQPVIHVIETIPIYKLLLKMQKERTHMAILIDEYGGTSGLVTVEDIIEEIVGEIRDEFDADEVPHIRELGKDHYLLNAKLLISDVNSLLGTDLSEAEVDTLGGWFLTQNIDAEPESAIEYDGYSFKVKDINSHHILFIEVKKAE
Complex: AMP_A_5(3NQR) / Model_45(3NQR/A) = [5.5] Download745.8231.75MPSLEKAVVLEFINLLAVAILILLTGFFVAVEFSIVKVRRSKIDQLVAKGKKGAKAAKHVITHLDEYLSACQLGITVAALGLGWLGEPTVQTLLRPLFHKAGLNESLTHLLSLVIAFLVVTYLNVVIGELAPKSFAIQKAESITLLFAKPLIWFYKIMFPFIWLLNHSARLITGVFGLKPASEHELAYTEEELRVLLAESYKSGEIRKSELKYMNNIFTFDKRMAKEIMVPRNEMVSLSLDEDSISNLQETVKQTKYTRYPVVREDKDNVIGVINMKEVLFSMLTKDFSIKKHQIEPFVQPVIHVIETIPIYKLLLKMQKERTHMAILIDEYGGTSGLVTVEDIIEEIVGEIRDEFDADEVPHIRELGKDHYLLNAKLLISDVNSLLGTDLSEAEVDTLGGWFLTQNIDAEPESAIEYDGYSFKVKDINSHHILFIEVKKAE
Complex: AMP_A_5(3NQR) / Model_7(3NQR/A) = [5.5] Download675.1834.33MPSLEKAVVLEFINLLAVAILILLTGFFVAVEFSIVKVRRSKIDQLVAKGKKGAKAAKHVITHLDEYLSACQLGITVAALGLGWLGEPTVQTLLRPLFHKAGLNESLTHLLSLVIAFLVVTYLNVVIGELAPKSFAIQKAESITLLFAKPLIWFYKIMFPFIWLLNHSARLITGVFGLKPASEHELAYTEEELRVLLAESYKSGEIRKSELKYMNNIFTFDKRMAKEIMVPRNEMVSLSLDEDSISNLQETVKQTKYTRYPVVREDKDNVIGVINMKEVLFSMLTKDFSIKKHQIEPFVQPVIHVIETIPIYKLLLKMQKERTHMAILIDEYGGTSGLVTVEDIIEEIVGEIRDEFDADEVPHIRELGKDHYLLNAKLLISDVNSLLGTDLSEAEVDTLGGWFLTQNIDAEPESAIEYDGYSFKVKDINSHHILFIEVKKAE
Consensus
[pKd Mean = 4.84]		-724
(s=165)		33
(s=3)		MPSLEKAVVLEFINLLAVAILILLTGFFVAVEFSIVKVRRSKIDQLVAKGKKGAKAAKHVITHLDEYLSACQLGITVAALGLGWLGEPTVQTLLRPLFHKAGLNESLTHLLSLVIAFLVVTYLNVVIGELAPKSFAIQKAESITLLFAKPLIWFYKIMFPFIWLLNHSARLITGVFGLKPASEHELAYTEEELRVLLAESYKSGEIRKSELKYMNNIFTFDKRMAKEIMVPRNEMVSLSLDEDSISNLQETVKQTKYTRYPVVREDKDNVIGVINMKEVLFSMLTKDFSIKKHQIEPFVQPVIHVIETIPIYKLLLKMQKERTHMAILIDEYGGTSGLVTVEDIIEEIVGEIRDEFDADEVPHIRELGKDHYLLNAKLLISDVNSLLGTDLSEAEVDTLGGWFLTQNIDAEPESAIEYDGYSFKVKDINSHHILFIEVKKAE