Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: GLC_A_3(2YA2) / Model_2(2YA2/A) = [3.2]	Download	551.06	11.57	MRKTPSHTEKKMVYSIRSLKNGTGSVLIGASLVLLAMATPTISSDESTPTTNEPNNRNTTTLAQPLTDTAADSGKNESDISSPRNANASLEKTEEKPATEPTTSTSPVTTETKAEEPIEDNYFRIHVKKLPEENKDAQGLWTWDDVEKPSENWPNGALSFKDAKKDDYGYYLDVKLKGEQAKKISFLINNTAGKNLTGDKSVEKLVPKMNEAWLDQDYKVFSYEPQPAGTVRVNYYRTDGNYDKKSLWYWGDVKNPSSAQWPDGTDFTATGKYGRYIDIPLNEAAREFGFLLLDESKQGDDVKIRKENYKFTDLKNHSQIFLKDDDESIYTNPYYVHDIRMTGAQHVGTSSIESSFSTLVGAKKEDILKHSNITNHLGNKVTITDVAIDEAGKKVTYSGDFSDTKHPYTVSYNSDQFTTKTSWHLKDETYSYDGKLGADLKEEGKQVDLTLWSPSADKVSVVVYDKNDPDKVVGTVALEKGERGTWKQTLDSTNKLGITDFTGYYYQYQIERQGKTVLALDPYAKSLAAWNSDDAKIDDAHKVAKAAFVDPAKLGPQDLTYGKIHNFKTREDAVIYEAHVRDFTSDPAIAKDLTKPFGTFEAFIEKLDYLKDLGVTHIQLLPVLSYYFVNELKNHERLSDYASSNSNYNWGYDPQNYFSLTGMYSSDPKNPEKRIAEFKNLINEIHKRGMGAILDVVYNHTAKVDIFEDLEPNYYHFMDADGTPRTSFGGGRLGTTHHMTKRLLVDSIKYLVDTYKVDGFRFDMMGDHDAASIEEAYKAARALNPNLIMLGEGWRTYAGDENMPTKAADQDWMKHTDTVAVFSDDIRNNLKSGYPNEGQPAFITGGKRDVNTIFKNLIAQPTNFEADSPGDVIQYIAAHDNLTLFDIIAQSIKKDPSKAENYAEIHRRLRLGNLMVLTAQGTPFIHSGQEYGRTKQFRDPAYKTPVAEDKVPNKSHLLRDKDGNPFDYPYFIHDSYDSSDAVNKFDWTKATDGKAYPENVKSRDYMKGLIALRQSTDAFRLKSLQDIKDRVHLITVPGQNGVEKEDVVIGYQITAPNGDIYAVFVNADEKAREFNLGTAFAHLRNAEVLADENQAGSVGIANPKGLEWTEKGLKLNALTATVLRVSQNGTSHESTAEEKPDSTPSKPEHQDPAPEARPDSTKPDAKVADAENKPSQATADSQAEQPAQEAQASSVKEAVQNESVENSSKKNIPATPDRQAELPNTGIKNENKLLFAGISLLALLGLGFLLKNKKEN
Consensus [pKd Mean = 3.20]	-	551 (s=0)	11 (s=0)	MRKTPSHTEKKMVYSIRSLKNGTGSVLIGASLVLLAMATPTISSDESTPTTNEPNNRNTTTLAQPLTDTAADSGKNESDISSPRNANASLEKTEEKPATEPTTSTSPVTTETKAEEPIEDNYFRIHVKKLPEENKDAQGLWTWDDVEKPSENWPNGALSFKDAKKDDYGYYLDVKLKGEQAKKISFLINNTAGKNLTGDKSVEKLVPKMNEAWLDQDYKVFSYEPQPAGTVRVNYYRTDGNYDKKSLWYWGDVKNPSSAQWPDGTDFTATGKYGRYIDIPLNEAAREFGFLLLDESKQGDDVKIRKENYKFTDLKNHSQIFLKDDDESIYTNPYYVHDIRMTGAQHVGTSSIESSFSTLVGAKKEDILKHSNITNHLGNKVTITDVAIDEAGKKVTYSGDFSDTKHPYTVSYNSDQFTTKTSWHLKDETYSYDGKLGADLKEEGKQVDLTLWSPSADKVSVVVYDKNDPDKVVGTVALEKGERGTWKQTLDSTNKLGITDFTGYYYQYQIERQGKTVLALDPYAKSLAAWNSDDAKIDDAHKVAKAAFVDPAKLGPQDLTYGKIHNFKTREDAVIYEAHVRDFTSDPAIAKDLTKPFGTFEAFIEKLDYLKDLGVTHIQLLPVLSYYFVNELKNHERLSDYASSNSNYNWGYDPQNYFSLTGMYSSDPKNPEKRIAEFKNLINEIHKRGMGAILDVVYNHTAKVDIFEDLEPNYYHFMDADGTPRTSFGGGRLGTTHHMTKRLLVDSIKYLVDTYKVDGFRFDMMGDHDAASIEEAYKAARALNPNLIMLGEGWRTYAGDENMPTKAADQDWMKHTDTVAVFSDDIRNNLKSGYPNEGQPAFITGGKRDVNTIFKNLIAQPTNFEADSPGDVIQYIAAHDNLTLFDIIAQSIKKDPSKAENYAEIHRRLRLGNLMVLTAQGTPFIHSGQEYGRTKQFRDPAYKTPVAEDKVPNKSHLLRDKDGNPFDYPYFIHDSYDSSDAVNKFDWTKATDGKAYPENVKSRDYMKGLIALRQSTDAFRLKSLQDIKDRVHLITVPGQNGVEKEDVVIGYQITAPNGDIYAVFVNADEKAREFNLGTAFAHLRNAEVLADENQAGSVGIANPKGLEWTEKGLKLNALTATVLRVSQNGTSHESTAEEKPDSTPSKPEHQDPAPEARPDSTKPDAKVADAENKPSQATADSQAEQPAQEAQASSVKEAVQNESVENSSKKNIPATPDRQAELPNTGIKNENKLLFAGISLLALLGLGFLLKNKKEN

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
PHE	628	CD2	2	1	1[O], 1[C],
PHE	628	CZ	1	1	1[O],
PHE	628	CG	1	1	1[O],
PHE	628	CE2	2	1	1[C], 1[O],
ASN	649	OD1	7	1	2[O], 5[C],
ASN	649	ND2	3	1	1[C], 2[O],
ASN	649	CG	4	1	2[O], 2[C],
TRP	650	NE1	3	1	1[O], 2[C],
TRP	650	CE2	5	1	3[C], 2[O],
TRP	650	CD1	4	1	2[O], 2[C],
TRP	650	CD2	9	1	5[C], 4[O],
TRP	650	CZ3	11	1	5[O], 6[C],
TRP	650	CG	8	1	3[O], 5[C],
TRP	650	CZ2	5	1	3[C], 2[O],
TRP	650	CE3	11	1	6[C], 5[O],
TYR	652	CZ	7	1	4[C], 3[O],
TYR	652	CE1	7	1	4[C], 3[O],
TYR	652	CE2	9	1	6[C], 3[O],
TYR	652	CG	10	1	4[O], 6[C],
TYR	652	CD2	11	1	5[O], 6[C],
TYR	652	CD1	9	1	6[C], 3[O],
ASP	653	CG	8	1	3[O], 5[C],
ASP	653	OD1	10	1	4[O], 6[C],
ASP	653	OD2	8	1	5[C], 3[O],
PRO	654	CD	2	1	1[O], 1[C],
VAL	697	CG1	4	1	2[C], 2[O],
HIS	700	CG	3	1	2[C], 1[O],
HIS	700	NE2	8	1	3[O], 5[C],
HIS	700	CD2	4	1	2[C], 2[O],
HIS	700	ND1	4	1	2[C], 2[O],
HIS	700	CE1	7	1	4[C], 3[O],
PHE	728	CD1	11	1	5[O], 6[C],
PHE	728	CE1	11	1	6[C], 5[O],
PHE	728	CZ	11	1	6[C], 5[O],
PHE	728	CE2	11	1	5[O], 6[C],
PHE	728	CG	11	1	6[C], 5[O],
PHE	728	CD2	10	1	4[O], 6[C],
ASP	763	OD2	4	1	1[O], 3[C],
ASP	763	CG	4	1	1[O], 3[C],
ASP	763	OD1	4	1	3[C], 1[O],
MET	764	SD	1	1	1[C],
HIS	879	NE2	4	1	2[C], 2[O],
HIS	879	CG	2	1	1[C], 1[O],
HIS	879	CD2	1	1	1[C],
HIS	879	CE1	5	1	3[C], 2[O],
HIS	879	ND1	4	1	2[C], 2[O],
ASP	880	CG	6	1	3[O], 3[C],
ASP	880	OD2	5	1	2[O], 3[C],
ASP	880	OD1	8	1	3[O], 5[C],
ASN	953	ND2	1	1	1[O],
LYS	954	NZ	6	1	3[O], 3[C],
LYS	954	CG	4	1	2[O], 2[C],
LYS	954	CD	6	1	3[C], 3[O],
LYS	954	CE	6	1	3[O], 3[C],
HIS	973	CD2	1	1	1[O],
ASP	974	OD2	11	1	5[O], 6[C],
ASP	974	CG	9	1	4[O], 5[C],
ASP	974	OD1	11	1	6[C], 5[O],
TYR	976	CE1	11	1	6[C], 5[O],
TYR	976	CG	11	1	5[O], 6[C],
TYR	976	CZ	11	1	5[O], 6[C],
TYR	976	CE2	11	1	6[C], 5[O],
TYR	976	CD2	11	1	5[O], 6[C],
TYR	976	CD1	11	1	6[C], 5[O],
Total = 64


Binding Site Information :		Doc...
Information extracted from the bests complexes created by comparative docking.