Atome 2 Filter

Binding Site Prediction
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Binding Site Number :C4_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: ANP_A_3(1P9W) / Model_1(1P9W/A) = [6.8]	Download	1505.48	10.03	MMQILKQIQVPYSFAKRHGVLFRYDGDQVFIVRRQNTEKIALQEARRILGKPAHYQLCTEQEFNSLLSTSYAGDTGESQQVAAGLEDHPDLLSLADQVPETEDLMDQEDDAPIVRLINALLSEAIRVGASDIHIEAFEKKLSVRLRVDGQLREIVQPRRELAPLLVSRIKVMAKLDIAEKRVPQDGRISLRLAGREVDVRVSTLPSSHGERVVMRLLDKQAGRLNMTHLGLMANDYERLTQLVHRPHGIILVTGPTGSGKTTTLYAALSDLNDNTRNILTAEDPIEYQLEGIGQTQVNTKVDMTFARALKAMLRQDPDVVMVGEIRDLETAEIAVQASLTGHLVLSTLHTNTAIGAVTRLKDMGIEPFLLSSSLIGVVAQRLVRTLCPHCMTWREADTFEKQVFQHISHEPSLKLPEAQGCDQCSHLGFNGRTAIYEIVPIDEPMRRLIHGNAAEFELENHARQYSGSIRDDGLRKVLSGKTTLEEVLRVTNEASEA
Complex: ACP_C_9(3JVV) / Model_58(3JVV/C) = [5.8]	Download	1452.82	20.29	MMQILKQIQVPYSFAKRHGVLFRYDGDQVFIVRRQNTEKIALQEARRILGKPAHYQLCTEQEFNSLLSTSYAGDTGESQQVAAGLEDHPDLLSLADQVPETEDLMDQEDDAPIVRLINALLSEAIRVGASDIHIEAFEKKLSVRLRVDGQLREIVQPRRELAPLLVSRIKVMAKLDIAEKRVPQDGRISLRLAGREVDVRVSTLPSSHGERVVMRLLDKQAGRLNMTHLGLMANDYERLTQLVHRPHGIILVTGPTGSGKTTTLYAALSDLNDNTRNILTAEDPIEYQLEGIGQTQVNTKVDMTFARALKAMLRQDPDVVMVGEIRDLETAEIAVQASLTGHLVLSTLHTNTAIGAVTRLKDMGIEPFLLSSSLIGVVAQRLVRTLCPHCMTWREADTFEKQVFQHISHEPSLKLPEAQGCDQCSHLGFNGRTAIYEIVPIDEPMRRLIHGNAAEFELENHARQYSGSIRDDGLRKVLSGKTTLEEVLRVTNEASEA
Complex: ADP_C_8(5TSG) / Model_27(5TSG/C) = [5.1]	Download	1209.17	15.86	MMQILKQIQVPYSFAKRHGVLFRYDGDQVFIVRRQNTEKIALQEARRILGKPAHYQLCTEQEFNSLLSTSYAGDTGESQQVAAGLEDHPDLLSLADQVPETEDLMDQEDDAPIVRLINALLSEAIRVGASDIHIEAFEKKLSVRLRVDGQLREIVQPRRELAPLLVSRIKVMAKLDIAEKRVPQDGRISLRLAGREVDVRVSTLPSSHGERVVMRLLDKQAGRLNMTHLGLMANDYERLTQLVHRPHGIILVTGPTGSGKTTTLYAALSDLNDNTRNILTAEDPIEYQLEGIGQTQVNTKVDMTFARALKAMLRQDPDVVMVGEIRDLETAEIAVQASLTGHLVLSTLHTNTAIGAVTRLKDMGIEPFLLSSSLIGVVAQRLVRTLCPHCMTWREADTFEKQVFQHISHEPSLKLPEAQGCDQCSHLGFNGRTAIYEIVPIDEPMRRLIHGNAAEFELENHARQYSGSIRDDGLRKVLSGKTTLEEVLRVTNEASEA
Complex: ATP_A_2(2EWW) / Model_6(2EWW/A) = [5.1]	Download	1629.57	19.75	MMQILKQIQVPYSFAKRHGVLFRYDGDQVFIVRRQNTEKIALQEARRILGKPAHYQLCTEQEFNSLLSTSYAGDTGESQQVAAGLEDHPDLLSLADQVPETEDLMDQEDDAPIVRLINALLSEAIRVGASDIHIEAFEKKLSVRLRVDGQLREIVQPRRELAPLLVSRIKVMAKLDIAEKRVPQDGRISLRLAGREVDVRVSTLPSSHGERVVMRLLDKQAGRLNMTHLGLMANDYERLTQLVHRPHGIILVTGPTGSGKTTTLYAALSDLNDNTRNILTAEDPIEYQLEGIGQTQVNTKVDMTFARALKAMLRQDPDVVMVGEIRDLETAEIAVQASLTGHLVLSTLHTNTAIGAVTRLKDMGIEPFLLSSSLIGVVAQRLVRTLCPHCMTWREADTFEKQVFQHISHEPSLKLPEAQGCDQCSHLGFNGRTAIYEIVPIDEPMRRLIHGNAAEFELENHARQYSGSIRDDGLRKVLSGKTTLEEVLRVTNEASEA
Consensus [pKd Mean = 5.70]	-	1449 (s=152)	16 (s=4)	MMQILKQIQVPYSFAKRHGVLFRYDGDQVFIVRRQNTEKIALQEARRILGKPAHYQLCTEQEFNSLLSTSYAGDTGESQQVAAGLEDHPDLLSLADQVPETEDLMDQEDDAPIVRLINALLSEAIRVGASDIHIEAFEKKLSVRLRVDGQLREIVQPRRELAPLLVSRIKVMAKLDIAEKRVPQDGRISLRLAGREVDVRVSTLPSSHGERVVMRLLDKQAGRLNMTHLGLMANDYERLTQLVHRPHGIILVTGPTGSGKTTTLYAALSDLNDNTRNILTAEDPIEYQLEGIGQTQVNTKVDMTFARALKAMLRQDPDVVMVGEIRDLETAEIAVQASLTGHLVLSTLHTNTAIGAVTRLKDMGIEPFLLSSSLIGVVAQRLVRTLCPHCMTWREADTFEKQVFQHISHEPSLKLPEAQGCDQCSHLGFNGRTAIYEIVPIDEPMRRLIHGNAAEFELENHARQYSGSIRDDGLRKVLSGKTTLEEVLRVTNEASEA

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
SER	130	OG	18	4	8[O], 10[C],
ASP	131	OD2	4	4	1[O], 3[C],
ASP	131	CG	1	4	1[O],
ASP	131	OD1	2	4	2[O],
ARG	146	CG	1	4	1[O],
ASP	148	OD2	2	4	1[N], 1[C],
ASP	148	OD1	15	4	4[N], 7[C], 4[O],
ASP	148	CG	4	4	2[C], 1[O], 1[N],
ARG	187	NE	2	4	2[O],
ARG	187	CZ	2	4	2[O],
ASP	198	CG	1	4	1[O],
ASP	198	OD2	3	4	1[C], 2[O],
ARG	200	NE	5	4	1[P], 4[O],
ARG	200	CZ	11	4	2[P], 1[N], 5[O], 3[C],
ARG	215	CZ	20	4	4[P], 4[C], 12[O],
ARG	215	CD	4	4	3[O], 1[P],
ARG	215	NE	12	4	9[O], 3[P],
LEU	216	CG	2	4	2[O],
LEU	216	CD1	4	4	3[O], 1[C],
LEU	217	CD1	7	4	3[O], 4[C],
LEU	217	CD2	7	4	1[P], 1[C], 5[O],
LEU	217	CG	3	4	1[O], 2[C],
ASP	218	CG	29	4	2[P], 13[C], 12[O], 2[N],
ASP	218	OD1	29	4	2[P], 2[N], 12[C], 13[O],
ASP	218	OD2	39	4	3[P], 5[N], 16[O], 15[C],
ARG	223	CD	13	4	5[N], 1[O], 7[C],
ARG	223	CG	13	4	5[N], 7[C], 1[O],
ARG	223	CZ	13	4	1[O], 7[C], 5[N],
ARG	223	NE	15	4	5[N], 8[C], 2[O],
LEU	224	CG	21	4	8[N], 2[O], 11[C],
LEU	224	CD1	28	4	15[C], 3[O], 10[N],
LEU	224	CD2	12	4	6[C], 1[O], 5[N],
HIS	228	CD2	13	4	1[O], 7[C], 5[N],
HIS	228	CG	7	4	4[C], 3[N],
HIS	228	CE1	9	4	4[N], 1[O], 4[C],
HIS	228	ND1	5	4	2[N], 3[C],
HIS	228	NE2	13	4	5[N], 7[C], 1[O],
LEU	229	CD1	35	4	18[C], 17[N],
LEU	229	CG	40	4	20[N], 20[C],
LEU	229	CD2	39	4	1[O], 21[C], 17[N],
LEU	231	CD2	9	4	6[N], 3[C],
LEU	231	CD1	2	4	2[N],
LEU	231	CG	4	4	4[N],
VAL	252	CG1	7	4	6[O], 1[P],
PRO	255	CG	4	4	4[O],
PRO	255	CD	4	4	4[O],
THR	256	OG1	34	4	8[P], 1[N], 1[C], 24[O],
THR	256	CG2	37	4	8[P], 1[N], 3[C], 25[O],
SER	258	OG	48	4	3[N], 27[O], 8[C], 10[P],
LYS	260	CE	43	4	11[P], 1[N], 30[O], 1[C],
LYS	260	CD	39	4	11[P], 1[N], 1[C], 26[O],
LYS	260	NZ	49	4	11[P], 1[N], 3[C], 34[O],
LYS	260	CG	49	4	11[P], 2[C], 35[O], 1[N],
THR	261	CG2	53	4	8[C], 33[O], 1[N], 11[P],
THR	261	OG1	54	4	1[N], 35[O], 7[C], 11[P],
THR	262	CG2	93	4	20[N], 40[C], 29[O], 4[P],
THR	262	OG1	111	4	9[P], 40[O], 41[C], 21[N],
THR	263	CG2	17	4	2[P], 6[N], 4[C], 5[O],
THR	263	OG1	35	4	13[N], 8[O], 12[C], 2[P],
LEU	264	CD2	1	4	1[O],
LEU	264	CG	4	4	4[O],
LEU	264	CD1	5	4	1[P], 4[O],
TYR	265	CD1	2	4	2[O],
TYR	265	CG	3	4	1[P], 2[O],
TYR	265	CE2	8	4	7[O], 1[P],
TYR	265	CZ	4	4	1[P], 3[O],
TYR	265	CD2	7	4	1[P], 6[O],
TYR	265	CE1	4	4	4[O],
GLU	282	OE1	2	4	2[O],
PRO	284	CD	4	4	3[O], 1[P],
PRO	284	CG	1	4	1[O],
GLU	286	CG	34	4	8[P], 2[C], 24[O],
GLU	286	OE1	45	4	10[P], 5[C], 29[O], 1[N],
GLU	286	OE2	49	4	1[N], 5[C], 32[O], 11[P],
GLU	286	CD	47	4	4[C], 31[O], 1[N], 11[P],
TYR	287	CD1	3	4	3[O],
TYR	287	CD2	9	4	2[P], 6[O], 1[C],
TYR	287	CG	2	4	2[O],
TYR	287	CE2	21	4	2[N], 11[O], 6[C], 2[P],
TYR	287	CE1	17	4	2[P], 10[O], 5[C],
TYR	287	CZ	26	4	2[P], 8[C], 14[O], 2[N],
MET	321	CE	1	4	1[O],
GLU	324	OE2	12	4	1[N], 8[O], 3[P],
GLU	324	CD	11	4	1[N], 8[O], 2[P],
GLU	324	OE1	12	4	3[P], 1[N], 8[O],
GLU	324	CG	4	4	1[P], 3[O],
THR	347	CG2	16	4	4[P], 12[O],
THR	347	OG1	15	4	3[P], 12[O],
HIS	349	CE1	13	4	10[O], 3[P],
HIS	349	CD2	9	4	2[P], 1[C], 6[O],
HIS	349	NE2	16	4	4[P], 1[C], 11[O],
HIS	349	CG	7	4	6[O], 1[P],
HIS	349	ND1	11	4	3[P], 8[O],
GLN	380	OE1	28	4	10[N], 14[C], 4[O],
GLN	380	NE2	60	4	8[P], 13[N], 21[O], 18[C],
GLN	380	CD	40	4	13[O], 14[C], 11[N], 2[P],
GLN	380	CG	19	4	8[C], 4[O], 7[N],
LEU	382	CG	90	4	20[N], 40[C], 24[O], 6[P],
LEU	382	CD2	79	4	20[N], 39[C], 18[O], 2[P],
LEU	382	CD1	101	4	20[N], 33[O], 40[C], 8[P],
THR	385	OG1	10	4	4[C], 6[N],
THR	385	CG2	2	4	1[C], 1[N],
ARG	432	CG	43	4	6[O], 24[C], 13[N],
ARG	432	CZ	55	4	12[N], 30[C], 12[O], 1[P],
ARG	432	CD	48	4	10[O], 26[C], 12[N],
ARG	432	NE	54	4	13[N], 30[C], 11[O],
THR	433	CG2	13	4	6[N], 7[C],
THR	433	OG1	20	4	10[N], 10[C],
TYR	436	CZ	19	4	9[C], 10[N],
TYR	436	CD2	4	4	4[N],
TYR	436	CE1	16	4	9[N], 7[C],
TYR	436	CD1	6	4	2[C], 4[N],
TYR	436	CE2	12	4	6[C], 6[N],
TYR	436	CG	2	4	2[N],
LYS	476	NZ	1	4	1[N],
Total = 115


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