Atome 2 Filter

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

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: PXG_A_3(3FQ7) / Model_10(3FQ7/A) = [5.6]	Download	1055.26	22.39	MSLSPKQEQLFKQASKHIPGGVNSPVRAFNGVGGTPVFIEKAKGAYLWDVDGKRYVDYVGSWGPMILGHAHPDIIKAVQTAAEDGLSFGAPTVHETTLADIICEIMPSIELVRMTNSGTEATMTAIRLARGYTGRDKIVKFEGCYHGHSDSLLVKAGSGLLTKGEGEPTSKGVPADFAKHTLTLPYNDIPALKECFAKFGHEIAGVIIEPVAGNMNMVKPIDGFLQAIRDVCDEYKSVFIIDEVMTGFRVALGGAQSVYNVKPDLTTLGKIIGAGLPVGAFGGKREIMECIAPLGGVYQAGTLSGNPLAMRAGIEMFKHLRQPDFYNKLSVQLEKLLAGLQAAADEAGIPFKTQQAGAMFGLYFTDQEDITSFDSMLACDIEAFKKFFHGMLKRGVNLAPSAFEAGFISSAHSDEDIEFTIQAAKETFAEMK
Complex: EA5_A_3(2HP1) / Model_8(2HP1/A) = [5.3]	Download	1084.39	21.67	MSLSPKQEQLFKQASKHIPGGVNSPVRAFNGVGGTPVFIEKAKGAYLWDVDGKRYVDYVGSWGPMILGHAHPDIIKAVQTAAEDGLSFGAPTVHETTLADIICEIMPSIELVRMTNSGTEATMTAIRLARGYTGRDKIVKFEGCYHGHSDSLLVKAGSGLLTKGEGEPTSKGVPADFAKHTLTLPYNDIPALKECFAKFGHEIAGVIIEPVAGNMNMVKPIDGFLQAIRDVCDEYKSVFIIDEVMTGFRVALGGAQSVYNVKPDLTTLGKIIGAGLPVGAFGGKREIMECIAPLGGVYQAGTLSGNPLAMRAGIEMFKHLRQPDFYNKLSVQLEKLLAGLQAAADEAGIPFKTQQAGAMFGLYFTDQEDITSFDSMLACDIEAFKKFFHGMLKRGVNLAPSAFEAGFISSAHSDEDIEFTIQAAKETFAEMK
Complex: KE4_A_3(2HP2) / Model_9(2HP2/A) = [5.1]	Download	1243.11	19.72	MSLSPKQEQLFKQASKHIPGGVNSPVRAFNGVGGTPVFIEKAKGAYLWDVDGKRYVDYVGSWGPMILGHAHPDIIKAVQTAAEDGLSFGAPTVHETTLADIICEIMPSIELVRMTNSGTEATMTAIRLARGYTGRDKIVKFEGCYHGHSDSLLVKAGSGLLTKGEGEPTSKGVPADFAKHTLTLPYNDIPALKECFAKFGHEIAGVIIEPVAGNMNMVKPIDGFLQAIRDVCDEYKSVFIIDEVMTGFRVALGGAQSVYNVKPDLTTLGKIIGAGLPVGAFGGKREIMECIAPLGGVYQAGTLSGNPLAMRAGIEMFKHLRQPDFYNKLSVQLEKLLAGLQAAADEAGIPFKTQQAGAMFGLYFTDQEDITSFDSMLACDIEAFKKFFHGMLKRGVNLAPSAFEAGFISSAHSDEDIEFTIQAAKETFAEMK
Complex: PMP_E_5(3GSB) / Model_23(3GSB/B) = [4.8]	Download	1029.58	14.25	MSLSPKQEQLFKQASKHIPGGVNSPVRAFNGVGGTPVFIEKAKGAYLWDVDGKRYVDYVGSWGPMILGHAHPDIIKAVQTAAEDGLSFGAPTVHETTLADIICEIMPSIELVRMTNSGTEATMTAIRLARGYTGRDKIVKFEGCYHGHSDSLLVKAGSGLLTKGEGEPTSKGVPADFAKHTLTLPYNDIPALKECFAKFGHEIAGVIIEPVAGNMNMVKPIDGFLQAIRDVCDEYKSVFIIDEVMTGFRVALGGAQSVYNVKPDLTTLGKIIGAGLPVGAFGGKREIMECIAPLGGVYQAGTLSGNPLAMRAGIEMFKHLRQPDFYNKLSVQLEKLLAGLQAAADEAGIPFKTQQAGAMFGLYFTDQEDITSFDSMLACDIEAFKKFFHGMLKRGVNLAPSAFEAGFISSAHSDEDIEFTIQAAKETFAEMK
Complex: PLR_A_3(3USF) / Model_11(3USF/A) = [4.4]	Download	981.72	20.31	MSLSPKQEQLFKQASKHIPGGVNSPVRAFNGVGGTPVFIEKAKGAYLWDVDGKRYVDYVGSWGPMILGHAHPDIIKAVQTAAEDGLSFGAPTVHETTLADIICEIMPSIELVRMTNSGTEATMTAIRLARGYTGRDKIVKFEGCYHGHSDSLLVKAGSGLLTKGEGEPTSKGVPADFAKHTLTLPYNDIPALKECFAKFGHEIAGVIIEPVAGNMNMVKPIDGFLQAIRDVCDEYKSVFIIDEVMTGFRVALGGAQSVYNVKPDLTTLGKIIGAGLPVGAFGGKREIMECIAPLGGVYQAGTLSGNPLAMRAGIEMFKHLRQPDFYNKLSVQLEKLLAGLQAAADEAGIPFKTQQAGAMFGLYFTDQEDITSFDSMLACDIEAFKKFFHGMLKRGVNLAPSAFEAGFISSAHSDEDIEFTIQAAKETFAEMK
Consensus [pKd Mean = 5.04]	-	1078 (s=88)	19 (s=2)	MSLSPKQEQLFKQASKHIPGGVNSPVRAFNGVGGTPVFIEKAKGAYLWDVDGKRYVDYVGSWGPMILGHAHPDIIKAVQTAAEDGLSFGAPTVHETTLADIICEIMPSIELVRMTNSGTEATMTAIRLARGYTGRDKIVKFEGCYHGHSDSLLVKAGSGLLTKGEGEPTSKGVPADFAKHTLTLPYNDIPALKECFAKFGHEIAGVIIEPVAGNMNMVKPIDGFLQAIRDVCDEYKSVFIIDEVMTGFRVALGGAQSVYNVKPDLTTLGKIIGAGLPVGAFGGKREIMECIAPLGGVYQAGTLSGNPLAMRAGIEMFKHLRQPDFYNKLSVQLEKLLAGLQAAADEAGIPFKTQQAGAMFGLYFTDQEDITSFDSMLACDIEAFKKFFHGMLKRGVNLAPSAFEAGFISSAHSDEDIEFTIQAAKETFAEMK

Res_Name	Res_Num	Res_At	Nb_Contacts	Nb_Complexes	Nb[At_Ligand]
SER	24	OG	36	5	3[P], 3[N], 12[O], 18[C],
PRO	25	CD	14	5	6[O], 8[C],
PRO	25	CG	10	5	6[O], 4[C],
VAL	26	CG1	28	5	5[N], 17[C], 6[O],
VAL	26	CG2	26	5	3[N], 17[C], 6[O],
ARG	27	CD	14	5	6[O], 8[C],
ARG	27	CG	15	5	6[O], 9[C],
ARG	27	CZ	14	5	8[C], 6[O],
ARG	27	NE	17	5	6[O], 11[C],
VAL	59	CG1	9	5	2[N], 7[C],
TRP	62	CZ3	29	5	17[C], 6[O], 6[N],
TRP	62	CD1	32	5	6[N], 7[O], 19[C],
TRP	62	CE2	29	5	6[N], 6[O], 17[C],
TRP	62	CE3	39	5	6[N], 11[O], 22[C],
TRP	62	CG	36	5	22[C], 8[O], 6[N],
TRP	62	NE1	28	5	5[N], 17[C], 6[O],
TRP	62	CZ2	26	5	3[N], 6[O], 17[C],
TRP	62	CD2	34	5	6[O], 22[C], 6[N],
PRO	64	CG	6	5	1[N], 4[O], 1[C],
PRO	64	CD	7	5	3[N], 4[C],
THR	115	OG1	1	5	1[O],
THR	115	CG2	1	5	1[O],
SER	117	OG	35	5	10[C], 20[O], 5[P],
THR	119	OG1	70	5	7[N], 5[P], 36[C], 22[O],
THR	119	CG2	40	5	20[O], 15[C], 5[P],
GLU	120	CG	11	5	1[P], 10[O],
GLU	120	CD	3	5	3[O],
THR	122	CG2	38	5	27[C], 4[O], 5[N], 2[P],
THR	122	OG1	56	5	5[N], 5[P], 34[C], 12[O],
CYS	144	SG	5	5	5[C],
TYR	145	CZ	102	5	30[O], 57[C], 10[N], 5[P],
TYR	145	CG	89	5	18[O], 56[C], 11[N], 4[P],
TYR	145	CE2	104	5	5[P], 11[N], 31[O], 57[C],
TYR	145	CD2	102	5	5[P], 11[N], 29[O], 57[C],
TYR	145	CD1	75	5	49[C], 16[O], 10[N],
TYR	145	CE1	86	5	5[P], 9[N], 23[O], 49[C],
HIS	146	ND1	32	5	5[N], 2[O], 25[C],
HIS	146	CG	42	5	5[N], 34[C], 3[O],
HIS	146	CE1	25	5	1[O], 19[C], 5[N],
HIS	146	CD2	35	5	5[N], 2[O], 28[C],
HIS	146	NE2	23	5	5[N], 18[C],
HIS	148	CG	16	5	1[P], 5[C], 10[O],
HIS	148	NE2	15	5	2[C], 10[O], 3[P],
HIS	148	CD2	17	5	11[O], 3[C], 3[P],
HIS	148	CE1	22	5	3[P], 14[O], 5[C],
HIS	148	ND1	24	5	3[P], 14[O], 7[C],
LEU	152	CG	2	5	2[C],
LEU	152	CD1	18	5	5[N], 13[C],
SER	158	OG	52	5	37[C], 11[O], 4[N],
THR	162	OG1	1	5	1[C],
ILE	207	CD1	6	5	1[C], 5[N],
ILE	207	CG1	1	5	1[N],
GLU	209	CG	39	5	5[N], 29[C], 5[O],
GLU	209	OE2	50	5	10[N], 5[O], 35[C],
GLU	209	OE1	46	5	5[O], 31[C], 10[N],
GLU	209	CD	46	5	8[N], 33[C], 5[O],
PRO	210	CD	6	5	6[C],
PRO	210	CG	1	5	1[C],
ASN	214	ND2	76	5	11[O], 54[C], 11[N],
ASN	214	CG	73	5	11[N], 7[O], 55[C],
ASN	214	OD1	78	5	56[C], 11[O], 11[N],
ASP	242	OD2	58	5	8[N], 10[O], 40[C],
ASP	242	OD1	56	5	6[N], 40[C], 10[O],
ASP	242	CG	55	5	10[O], 40[C], 5[N],
GLU	243	CG	1	5	1[C],
VAL	244	CG2	79	5	5[P], 9[N], 25[O], 40[C],
VAL	244	CG1	89	5	48[C], 25[O], 5[P], 11[N],
MET	245	SD	54	5	5[O], 38[C], 11[N],
MET	245	CG	54	5	11[N], 5[O], 38[C],
MET	245	CE	71	5	11[N], 52[C], 8[O],
THR	246	OG1	7	5	7[C],
THR	246	CG2	8	5	6[C], 2[O],
THR	267	OG1	38	5	5[N], 31[C], 2[O],
THR	267	CG2	10	5	5[C], 5[N],
LYS	270	NZ	103	5	30[O], 57[C], 11[N], 5[P],
LYS	270	CG	93	5	11[N], 5[P], 52[C], 25[O],
LYS	270	CE	103	5	30[O], 57[C], 11[N], 5[P],
LYS	270	CD	92	5	54[C], 22[O], 5[P], 11[N],
ILE	272	CD1	1	5	1[O],
MET	359	CE	7	5	3[O], 3[C], 1[N],
PRO	400	CD	1	5	1[C],
SER	401	OG	1	5	1[C],
GLU	404	CD	40	5	6[N], 10[O], 24[C],
GLU	404	CG	27	5	6[N], 5[O], 16[C],
GLU	404	OE1	43	5	6[N], 9[O], 28[C],
GLU	404	OE2	47	5	6[N], 30[C], 11[O],
PHE	407	CE1	18	5	5[N], 10[C], 3[O],
PHE	407	CD2	2	5	2[N],
PHE	407	CZ	19	5	5[O], 8[C], 6[N],
PHE	407	CD1	6	5	2[N], 4[C],
PHE	407	CE2	10	5	3[C], 3[O], 4[N],
PHE	407	CG	2	5	2[N],
Total = 92


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