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



Prediction Binding Site :


Binding Site Prediction
[Download fasta file] - [Download text file]

Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: 7A7_A_3(5LXD) / Model_4(5LXD/A) = [6.3] Download1172.4529.42MPIGANASGGPSFQSGVNRTGNGTTRKNGMTINGIQNISMMGGRSEVAVKSAGNSVTQRVANLPTLPSTSASMQGLQSDFYSMPQPPMIHAGFQNGMMMPAYSGGYRQLSANGVRGTYRELNEMGEGGKVSTMQADDGKMRDADSVTPSLSPNSNVQNRCKVNTPPLAQADEYTGLTPTPPSLRFLTSYEEEEVRDYLPSVYFGGTEQCKKIHGVRGTEKNDGYDDDNFHYRVVVGDHLLYRYEVVKVLGQGTFGIVVRALDHKHHRLVAVKVIKNKPNYTKQAREEIKTLELLNRDDPDDEANIVRLLGSHIFRKHYILVFELLPSDLYAIIQTNKFRPMSHDFIYELSEQLLTALVHVRDHKIVHCDLKPENIMISRRGGNSNSLGESSDFSLKLIDFGSACEESRPLFTYIQSRYYRAPEIVLGIPYTTAIDMWSFGCVLCELANGYPIFPASSEGELLERLVEYFGTIPSYLVQQGRRADRFFEDGQMKHNLGKKRIPHAPHSRALRNFLKIGRSHEDQLFEDFVSKCLHLDARQRLTPEAALEHPWMELWRGTSSRGSTASLSDSCSLSR
Complex: ANP_A_3(4IIR) / Model_42(4IIR/A) = [5.0] Download1609.4322.66MPIGANASGGPSFQSGVNRTGNGTTRKNGMTINGIQNISMMGGRSEVAVKSAGNSVTQRVANLPTLPSTSASMQGLQSDFYSMPQPPMIHAGFQNGMMMPAYSGGYRQLSANGVRGTYRELNEMGEGGKVSTMQADDGKMRDADSVTPSLSPNSNVQNRCKVNTPPLAQADEYTGLTPTPPSLRFLTSYEEEEVRDYLPSVYFGGTEQCKKIHGVRGTEKNDGYDDDNFHYRVVVGDHLLYRYEVVKVLGQGTFGIVVRALDHKHHRLVAVKVIKNKPNYTKQAREEIKTLELLNRDDPDDEANIVRLLGSHIFRKHYILVFELLPSDLYAIIQTNKFRPMSHDFIYELSEQLLTALVHVRDHKIVHCDLKPENIMISRRGGNSNSLGESSDFSLKLIDFGSACEESRPLFTYIQSRYYRAPEIVLGIPYTTAIDMWSFGCVLCELANGYPIFPASSEGELLERLVEYFGTIPSYLVQQGRRADRFFEDGQMKHNLGKKRIPHAPHSRALRNFLKIGRSHEDQLFEDFVSKCLHLDARQRLTPEAALEHPWMELWRGTSSRGSTASLSDSCSLSR
Complex: 6FB_A_9(5J1W) / Model_28(5J1W/A) = [4.8] Download557.7027.50MPIGANASGGPSFQSGVNRTGNGTTRKNGMTINGIQNISMMGGRSEVAVKSAGNSVTQRVANLPTLPSTSASMQGLQSDFYSMPQPPMIHAGFQNGMMMPAYSGGYRQLSANGVRGTYRELNEMGEGGKVSTMQADDGKMRDADSVTPSLSPNSNVQNRCKVNTPPLAQADEYTGLTPTPPSLRFLTSYEEEEVRDYLPSVYFGGTEQCKKIHGVRGTEKNDGYDDDNFHYRVVVGDHLLYRYEVVKVLGQGTFGIVVRALDHKHHRLVAVKVIKNKPNYTKQAREEIKTLELLNRDDPDDEANIVRLLGSHIFRKHYILVFELLPSDLYAIIQTNKFRPMSHDFIYELSEQLLTALVHVRDHKIVHCDLKPENIMISRRGGNSNSLGESSDFSLKLIDFGSACEESRPLFTYIQSRYYRAPEIVLGIPYTTAIDMWSFGCVLCELANGYPIFPASSEGELLERLVEYFGTIPSYLVQQGRRADRFFEDGQMKHNLGKKRIPHAPHSRALRNFLKIGRSHEDQLFEDFVSKCLHLDARQRLTPEAALEHPWMELWRGTSSRGSTASLSDSCSLSR
Complex: DBQ_A_2(1Z57) / Model_29(1Z57/A) = [4.5] Download540.0231.77MPIGANASGGPSFQSGVNRTGNGTTRKNGMTINGIQNISMMGGRSEVAVKSAGNSVTQRVANLPTLPSTSASMQGLQSDFYSMPQPPMIHAGFQNGMMMPAYSGGYRQLSANGVRGTYRELNEMGEGGKVSTMQADDGKMRDADSVTPSLSPNSNVQNRCKVNTPPLAQADEYTGLTPTPPSLRFLTSYEEEEVRDYLPSVYFGGTEQCKKIHGVRGTEKNDGYDDDNFHYRVVVGDHLLYRYEVVKVLGQGTFGIVVRALDHKHHRLVAVKVIKNKPNYTKQAREEIKTLELLNRDDPDDEANIVRLLGSHIFRKHYILVFELLPSDLYAIIQTNKFRPMSHDFIYELSEQLLTALVHVRDHKIVHCDLKPENIMISRRGGNSNSLGESSDFSLKLIDFGSACEESRPLFTYIQSRYYRAPEIVLGIPYTTAIDMWSFGCVLCELANGYPIFPASSEGELLERLVEYFGTIPSYLVQQGRRADRFFEDGQMKHNLGKKRIPHAPHSRALRNFLKIGRSHEDQLFEDFVSKCLHLDARQRLTPEAALEHPWMELWRGTSSRGSTASLSDSCSLSR
Consensus
[pKd Mean = 5.15]		-969
(s=448)		27
(s=3)		MPIGANASGGPSFQSGVNRTGNGTTRKNGMTINGIQNISMMGGRSEVAVKSAGNSVTQRVANLPTLPSTSASMQGLQSDFYSMPQPPMIHAGFQNGMMMPAYSGGYRQLSANGVRGTYRELNEMGEGGKVSTMQADDGKMRDADSVTPSLSPNSNVQNRCKVNTPPLAQADEYTGLTPTPPSLRFLTSYEEEEVRDYLPSVYFGGTEQCKKIHGVRGTEKNDGYDDDNFHYRVVVGDHLLYRYEVVKVLGQGTFGIVVRALDHKHHRLVAVKVIKNKPNYTKQAREEIKTLELLNRDDPDDEANIVRLLGSHIFRKHYILVFELLPSDLYAIIQTNKFRPMSHDFIYELSEQLLTALVHVRDHKIVHCDLKPENIMISRRGGNSNSLGESSDFSLKLIDFGSACEESRPLFTYIQSRYYRAPEIVLGIPYTTAIDMWSFGCVLCELANGYPIFPASSEGELLERLVEYFGTIPSYLVQQGRRADRFFEDGQMKHNLGKKRIPHAPHSRALRNFLKIGRSHEDQLFEDFVSKCLHLDARQRLTPEAALEHPWMELWRGTSSRGSTASLSDSCSLSR



Statistical distribution of contacts between receptors and ligands in all complexes :
(only contacts < 8A are taken into consideration)


Res_NameRes_NumRes_AtNb_ContactsNb_ComplexesNb[At_Ligand]
PHE229CE1141[O],
HIS230NE2141[O],
HIS230CD2141[O],
VAL248C741[F], 2[O], 2[C], 2[N],
VAL248O541[O], 1[N], 3[C],
VAL248CG1241[F], 1[C],
LEU249CD15941[S], 1[F], 6[O], 13[N], 38[C],
LEU249CB6041[S], 1[F], 6[O], 13[N], 39[C],
LEU249O4141[S], 1[F], 7[O], 6[N], 26[C],
LEU249CG5041[S], 1[F], 4[O], 13[N], 31[C],
LEU249N2741[S], 1[F], 4[O], 6[N], 15[C],
LEU249CD23841[S], 4[O], 22[C], 11[N],
LEU249C4541[S], 1[F], 7[O], 6[N], 30[C],
LEU249CA3841[S], 1[F], 5[O], 7[N], 24[C],
GLY250CA4441[S], 1[F], 8[O], 6[N], 28[C],
GLY250N4841[S], 1[F], 7[O], 8[N], 31[C],
GLY250C4241[S], 1[F], 7[O], 7[N], 25[C], 1[P],
GLY250O4641[S], 1[F], 9[O], 7[N], 26[C], 2[P],
GLN251CB641[F], 1[O], 4[C],
GLN251CA1741[F], 3[O], 3[N], 10[C],
GLN251N2341[F], 3[O], 4[N], 15[C],
GLN251C2241[F], 4[O], 4[N], 12[C], 1[P],
GLN251O2941[F], 7[O], 5[N], 13[C], 3[P],
GLN251CD241[F], 1[C],
GLN251CG541[F], 1[O], 3[C],
GLY252O441[F], 2[O], 1[C],
GLY252CA1441[F], 3[O], 7[C], 3[N],
GLY252N1641[F], 2[O], 9[C], 4[N],
GLY252C1141[F], 4[O], 1[N], 4[C], 1[P],
THR253N241[N], 1[C],
PHE254CZ3941[S], 1[F], 2[O], 7[N], 28[C],
PHE254CG2341[F], 1[O], 7[N], 14[C],
PHE254CA241[C], 1[N],
PHE254C141[C],
PHE254CE23541[S], 1[F], 2[O], 7[N], 24[C],
PHE254N241[N], 1[C],
PHE254CE13841[S], 1[F], 2[O], 7[N], 27[C],
PHE254CB1141[F], 4[N], 6[C],
PHE254CD12441[F], 1[O], 7[N], 15[C],
PHE254CD22841[F], 2[O], 7[N], 18[C],
GLY255N1641[F], 9[O], 1[N], 2[C], 3[P],
GLY255CA1441[F], 8[O], 1[C], 1[N], 3[P],
GLY255C1941[F], 8[O], 5[C], 2[N], 3[P],
GLY255O2541[F], 10[O], 8[C], 3[N], 3[P],
ILE256CG1441[F], 2[O], 1[C],
ILE256CD1141[F],
ILE256O3341[F], 5[O], 6[N], 19[C], 2[P],
ILE256CG2141[F],
ILE256C3841[S], 1[F], 6[O], 5[N], 23[C], 2[P],
ILE256CB441[F], 2[O], 1[C],
ILE256CA1741[F], 5[O], 2[N], 7[C], 2[P],
ILE256N1441[F], 5[O], 4[C], 2[N], 2[P],
VAL257CA7541[S], 1[F], 10[O], 17[N], 44[C], 2[P],
VAL257CB8341[S], 1[F], 12[O], 19[N], 48[C], 2[P],
VAL257O4741[S], 1[F], 5[O], 9[N], 31[C],
VAL257CG18041[S], 1[F], 11[O], 19[N], 46[C], 2[P],
VAL257C5741[S], 1[F], 6[O], 12[N], 37[C],
VAL257N6041[S], 1[F], 7[O], 13[N], 36[C], 2[P],
VAL257CG28641[S], 1[F], 13[O], 20[N], 48[C], 3[P],
VAL258C2543[O], 8[N], 14[C],
VAL258N3941[S], 1[F], 4[O], 9[N], 24[C],
VAL258CA1341[F], 1[O], 4[N], 7[C],
VAL258O3543[O], 20[C], 12[N],
ARG259CA1542[O], 7[N], 6[C],
ARG259CG1341[O], 5[N], 7[C],
ARG259CB1042[O], 5[N], 3[C],
ARG259NE1142[O], 3[N], 6[C],
ARG259CD741[O], 3[N], 3[C],
ARG259N1742[O], 7[N], 8[C],
ARG259CZ1542[O], 5[N], 8[C],
LEU268O141[O],
VAL269CA1141[O], 5[C], 5[N],
VAL269N241[O], 1[N],
VAL269C2842[O], 16[C], 10[N],
VAL269O2342[O], 11[C], 10[N],
ALA270O4441[S], 3[O], 12[N], 28[C],
ALA270CA4741[S], 3[O], 12[N], 31[C],
ALA270C4641[S], 3[O], 12[N], 30[C],
ALA270CB5741[S], 4[O], 15[N], 37[C],
ALA270N3741[S], 2[O], 12[N], 22[C],
VAL271C3841[S], 1[O], 7[N], 29[C],
VAL271O4041[S], 1[F], 2[O], 7[N], 29[C],
VAL271CA2742[O], 5[N], 20[C],
VAL271N4441[S], 3[O], 12[N], 28[C],
LYS272CA4741[S], 1[F], 6[O], 8[N], 29[C], 2[P],
LYS272O141[O],
LYS272NZ5441[F], 11[O], 10[N], 29[C], 3[P],
LYS272CE5441[F], 11[O], 10[N], 29[C], 3[P],
LYS272C1544[O], 3[N], 8[C],
LYS272CD6041[S], 1[F], 8[O], 12[N], 35[C], 3[P],
LYS272N4445[O], 9[N], 30[C],
LYS272CG5341[S], 1[F], 8[O], 11[N], 30[C], 2[P],
LYS272CB5741[S], 1[F], 8[O], 12[N], 33[C], 2[P],
VAL273O443[O], 1[P],
VAL273C242[O],
VAL273N242[O],
ILE274CD11042[O], 3[N], 5[C],
ILE274N141[O],
ILE274C141[O],
ILE274CG1342[O], 1[P],
ILE274CG2141[O],
ILE274CA141[O],
ILE274CB141[O],
LYS275NZ644[O], 1[N], 1[P],
LYS275CD342[O], 1[P],
LYS275N141[O],
LYS275CG241[O], 1[P],
LYS275CB141[O],
LYS275CE442[O], 1[N], 1[P],
TYR280CE2141[O],
TYR280CD2141[O],
GLN283OE1342[O], 1[N],
GLU287CB441[O], 3[N],
GLU287CG1142[O], 3[N], 6[C],
GLU287OE23646[O], 8[N], 20[C], 2[P],
GLU287CD2945[O], 7[N], 15[C], 2[P],
GLU287OE13146[O], 7[N], 15[C], 3[P],
LEU291CG341[O], 1[N], 1[C],
LEU291CD2441[O], 1[N], 2[C],
LEU291CD11042[O], 3[N], 5[C],
VAL306CA1641[O], 5[N], 10[C],
VAL306CG14041[S], 2[O], 10[N], 27[C],
VAL306CG25041[S], 4[O], 13[N], 32[C],
VAL306C1241[O], 3[N], 8[C],
VAL306N641[N], 5[C],
VAL306CB4341[S], 2[O], 11[N], 29[C],
VAL306O444[C],
ARG307O1541[O], 4[N], 10[C],
ARG307C642[N], 4[C],
ARG307N742[N], 5[C],
ARG307CA241[N], 1[C],
LEU308CD2343[C],
LEU308N141[C],
LEU308CA141[C],
LEU308CG141[C],
LEU308CD1341[O], 2[C],
LEU320CD2541[O], 2[N], 2[C],
LEU320O1941[O], 5[N], 13[C],
LEU320CD1441[O], 1[N], 2[C],
LEU320C641[O], 5[C],
LEU320CA141[O],
LEU320CB941[O], 2[N], 6[C],
LEU320CG341[O], 1[N], 1[C],
VAL321N341[O], 2[C],
VAL321C1441[O], 3[N], 10[C],
VAL321CA444[C],
VAL321O941[O], 3[N], 5[C],
PHE322N2842[O], 8[N], 18[C],
PHE322CA3742[O], 9[N], 26[C],
PHE322O2941[O], 9[N], 19[C],
PHE322CD25741[S], 6[O], 15[N], 34[C], 1[P],
PHE322CB5241[S], 3[O], 16[N], 32[C],
PHE322C3142[O], 8[N], 21[C],
PHE322CD15041[S], 4[O], 13[N], 32[C],
PHE322CZ4641[S], 4[O], 10[N], 30[C], 1[P],
PHE322CG5441[S], 4[O], 15[N], 34[C],
PHE322CE14441[S], 2[O], 10[N], 31[C],
PHE322CE25145[O], 14[N], 31[C], 1[P],
GLU323OE1643[N], 3[C],
GLU323N2741[O], 7[N], 19[C],
GLU323CG2241[O], 14[C], 7[N],
GLU323C3442[O], 11[N], 21[C],
GLU323CB1441[O], 7[C], 6[N],
GLU323OE21045[C], 5[N],
GLU323O4641[S], 3[O], 12[N], 30[C],
GLU323CD1241[O], 6[C], 5[N],
GLU323CA2041[O], 13[C], 6[N],
LEU324C3342[O], 20[C], 11[N],
LEU324CD13641[S], 2[O], 11[N], 22[C],
LEU324CA3641[S], 2[O], 11[N], 22[C],
LEU324CD21742[O], 8[N], 7[C],
LEU324O2742[O], 15[C], 10[N],
LEU324CB2842[O], 16[C], 10[N],
LEU324CG2742[O], 15[C], 10[N],
LEU324N3142[O], 10[N], 19[C],
LEU325N4141[S], 2[O], 12[N], 26[C],
LEU325CD22942[O], 17[C], 10[N],
LEU325CA3841[S], 2[O], 12[N], 23[C],
LEU325C4041[S], 3[O], 24[C], 12[N],
LEU325CB4441[S], 2[O], 12[N], 29[C],
LEU325CD14941[S], 3[O], 14[N], 31[C],
LEU325O4041[S], 3[O], 24[C], 12[N],
LEU325CG4441[S], 2[O], 12[N], 29[C],
PRO326CG941[O], 4[N], 4[C],
PRO326CD2242[O], 9[N], 11[C],
PRO326C3143[O], 9[N], 19[C],
PRO326CB1042[O], 5[N], 3[C],
PRO326O3741[S], 3[O], 23[C], 10[N],
PRO326CA2142[O], 8[N], 11[C],
PRO326N2842[O], 9[N], 17[C],
SER327CB741[O], 3[N], 3[C],
SER327O2143[O], 6[N], 12[C],
SER327OG241[O], 1[C],
SER327N2443[O], 7[N], 14[C],
SER327CA2244[O], 7[N], 11[C],
SER327C2644[O], 7[N], 15[C],
ASP328OD24747[O], 9[N], 31[C],
ASP328O342[O], 1[C],
ASP328N2945[O], 7[N], 17[C],
ASP328CA2343[O], 5[N], 15[C],
ASP328C542[O], 3[C],
ASP328CB3446[O], 8[N], 20[C],
ASP328CG4145[O], 8[N], 28[C],
ASP328OD13843[O], 8[N], 27[C],
LEU329N342[O], 1[C],
TYR330N141[O],
TYR330CB141[O],
ALA331CB242[O],
ALA331N242[O],
HIS367CE1141[O],
HIS367NE2141[O],
ASP369CA141[O],
ASP369C141[O],
ASP369O141[O],
ASP369OD21042[O], 5[C], 2[N], 1[P],
ASP369OD1744[O], 1[N], 1[C], 1[P],
ASP369CG643[O], 1[N], 1[C], 1[P],
ASP369CB342[O], 1[P],
LYS371NZ1344[O], 2[N], 6[C], 1[P],
LYS371CG341[O], 2[C],
LYS371CE1545[O], 6[C], 3[N], 1[P],
LYS371CD843[O], 4[C], 1[P],
PRO372C341[O], 2[C],
PRO372O441[O], 3[C],
GLU373C4041[S], 9[O], 5[N], 23[C], 2[P],
GLU373CD1045[O], 4[C], 1[P],
GLU373OE11246[O], 1[N], 4[C], 1[P],
GLU373N943[O], 1[N], 5[C],
GLU373CA2246[O], 3[N], 12[C], 1[P],
GLU373CG1444[O], 1[N], 8[C], 1[P],
GLU373CB2347[O], 3[N], 12[C], 1[P],
GLU373O6241[S], 1[F], 11[O], 11[N], 36[C], 2[P],
GLU373OE2744[O], 3[C],
ASN374O2444[O], 5[N], 14[C], 1[P],
ASN374C2444[O], 4[N], 15[C], 1[P],
ASN374CB3547[O], 8[N], 18[C], 2[P],
ASN374OD15841[S], 1[F], 13[O], 8[N], 32[C], 3[P],
ASN374CA4541[S], 8[O], 8[N], 26[C], 2[P],
ASN374CG4541[S], 11[O], 8[N], 22[C], 3[P],
ASN374N3148[O], 5[N], 16[C], 2[P],
ASN374ND23649[O], 8[N], 16[C], 3[P],
ILE375O442[O], 2[C],
ILE375C442[O], 2[C],
ILE375N942[O], 2[N], 5[C],
ILE375CA141[O],
MET376N1943[O], 6[N], 10[C],
MET376C944[N], 5[C],
MET376CG7241[S], 9[O], 17[N], 44[C], 1[P],
MET376CA3841[S], 4[O], 11[N], 22[C],
MET376SD7241[S], 9[O], 17[N], 44[C], 1[P],
MET376CE7841[S], 1[F], 8[O], 19[N], 49[C],
MET376CB5141[S], 4[O], 13[N], 33[C],
ILE377N442[N], 2[C],
ILE377O1842[O], 8[N], 8[C],
ILE377C442[N], 2[C],
SER378O341[O], 2[N],
ARG380CD141[N],
LYS396CG141[N],
LYS396CB442[C], 2[N],
LEU397C1941[O], 4[N], 14[C],
LEU397O1541[O], 3[N], 11[C],
ILE398CB7641[S], 11[O], 18[N], 45[C], 1[P],
ILE398C4941[S], 7[O], 10[N], 30[C], 1[P],
ILE398CD18641[S], 1[F], 12[O], 20[N], 49[C], 3[P],
ILE398CG18041[S], 1[F], 11[O], 19[N], 47[C], 1[P],
ILE398CA5541[S], 6[O], 12[N], 35[C], 1[P],
ILE398CG27341[S], 8[O], 19[N], 44[C], 1[P],
ILE398O3641[S], 5[O], 9[N], 20[C], 1[P],
ILE398N3741[S], 3[O], 8[N], 25[C],
ASP399CG5141[S], 1[F], 11[O], 8[N], 27[C], 3[P],
ASP399N5441[S], 7[O], 12[N], 31[C], 3[P],
ASP399OD144410[O], 8[N], 23[C], 3[P],
ASP399C3348[O], 7[N], 15[C], 3[P],
ASP399CB6041[S], 1[F], 12[O], 11[N], 32[C], 3[P],
ASP399O2646[O], 7[N], 10[C], 3[P],
ASP399CA5241[S], 11[O], 10[N], 27[C], 3[P],
ASP399OD24941[S], 1[F], 12[O], 8[N], 24[C], 3[P],
PHE400O141[N],
PHE400CA1042[O], 3[N], 5[C],
PHE400N2845[O], 7[N], 13[C], 3[P],
PHE400CD2442[O], 1[C], 1[N],
PHE400C741[O], 4[N], 2[C],
PHE400CB542[O], 3[N],
PHE400CG341[O], 2[N],
PHE400CE2341[O], 1[C], 1[N],
PHE400CD1642[N], 4[C],
PHE400CE1341[N], 2[C],
GLY401C542[O], 1[C], 2[N],
GLY401CA1546[O], 4[N], 2[C], 3[P],
GLY401N2047[O], 6[N], 4[C], 3[P],
GLY401O141[N],
SER402CB342[O], 1[N],
SER402OG442[O], 1[N], 1[P],
SER402N642[O], 1[C], 2[N], 1[P],
SER402CA141[O],
SER416OG342[O], 1[C],
Total = 296



Download csv file of statistical distribution of contacts