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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: 4QV_A_2(4ZS0) / Model_10(4ZS0/A) = [6.2] Download672.5026.52MPSPCPSSSSPLLGSITSGIRSPSRGPVQQQQQQHQLHAPMRLRLHEDGNIRACPEKSGGGVSQACAPPLPAASAFARGKEEPSAKRHHAEPSSCPAPDGDSSSVGRSAAATAVTIAAPLLSISNPSSRAAPSPFRFLCTSLGGCPVVGAKGARVHLPGSSASCDVSGSVAPRDLSTTSAHSKAHSTAAVVRASPSSGVVSPPLSATYPSLVSASRGARVVCSHPQPASAASVPGAIIDTSAPSPVPSRPHRIHQHELRPADFRREEVLGEGSYSIVTLATHRASGLCFALKEIDRSRLRWRPLEAQLRWEINLQRTLRHPHIVRLYSYFITPDCISLVLEYCSGGTLLSRLRAAPQHRLSERQASRYTRHVAKALTHLHGLGVAHRDLKLENVLIDADGIAKLADFGWSRPVVHPLPPSKSAATTQTAGDRNDVPCSSAEHDTSNEDPTEGVAEGRRTVCGTLDYLSPEMVSGQAHSAKTDVWSLGVMLAEMLTGTPPFYTESTQQTLYAIQRLPPNLTGLRPKGRGPGLTGSGASATANVCLTLDEPVALSAGALSLIHAMLQKDPSARPTMQEVLSHAWLQKTR
Consensus
[pKd Mean = 6.20]		-672
(s=0)		26
(s=0)		MPSPCPSSSSPLLGSITSGIRSPSRGPVQQQQQQHQLHAPMRLRLHEDGNIRACPEKSGGGVSQACAPPLPAASAFARGKEEPSAKRHHAEPSSCPAPDGDSSSVGRSAAATAVTIAAPLLSISNPSSRAAPSPFRFLCTSLGGCPVVGAKGARVHLPGSSASCDVSGSVAPRDLSTTSAHSKAHSTAAVVRASPSSGVVSPPLSATYPSLVSASRGARVVCSHPQPASAASVPGAIIDTSAPSPVPSRPHRIHQHELRPADFRREEVLGEGSYSIVTLATHRASGLCFALKEIDRSRLRWRPLEAQLRWEINLQRTLRHPHIVRLYSYFITPDCISLVLEYCSGGTLLSRLRAAPQHRLSERQASRYTRHVAKALTHLHGLGVAHRDLKLENVLIDADGIAKLADFGWSRPVVHPLPPSKSAATTQTAGDRNDVPCSSAEHDTSNEDPTEGVAEGRRTVCGTLDYLSPEMVSGQAHSAKTDVWSLGVMLAEMLTGTPPFYTESTQQTLYAIQRLPPNLTGLRPKGRGPGLTGSGASATANVCLTLDEPVALSAGALSLIHAMLQKDPSARPTMQEVLSHAWLQKTR



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]
VAL268O716[C], 1[N],
VAL268C811[N], 7[C],
LEU269CD21611[O], 4[N], 11[C],
LEU269CB1911[O], 4[N], 14[C],
LEU269C1811[O], 4[N], 13[C],
LEU269N1313[N], 10[C],
LEU269CD11911[O], 4[N], 14[C],
LEU269CA1711[O], 4[N], 12[C],
LEU269CG1811[O], 4[N], 13[C],
LEU269O1413[N], 11[C],
GLY270N1911[O], 4[N], 14[C],
GLY270C1012[N], 8[C],
GLY270CA1513[N], 12[C],
GLY270O912[N], 7[C],
GLU271N411[N], 3[C],
GLY272CA111[C],
GLY272N111[C],
ILE276O212[C],
ILE276C313[C],
VAL277C1611[O], 4[N], 11[C],
VAL277O1711[O], 4[N], 12[C],
VAL277CG21411[O], 4[N], 9[C],
VAL277CB1611[O], 4[N], 11[C],
VAL277N912[N], 7[C],
VAL277CA1311[O], 3[N], 9[C],
VAL277CG11611[O], 4[N], 11[C],
THR278N1211[O], 3[N], 8[C],
THR278O1011[O], 4[N], 5[C],
THR278CA512[N], 3[C],
THR278C911[O], 4[N], 4[C],
LEU279CB411[O], 1[N], 2[C],
LEU279CD1611[O], 1[N], 4[C],
LEU279CG111[O],
LEU279N911[O], 4[N], 4[C],
LEU279CA511[O], 2[N], 2[C],
PHE289N111[O],
PHE289CB211[O], 1[N],
PHE289C511[O], 2[N], 2[C],
PHE289O411[O], 2[N], 1[C],
PHE289CA311[O], 1[N], 1[C],
ALA290O811[O], 2[N], 5[C],
ALA290CB1511[O], 4[N], 10[C],
ALA290C1011[O], 2[N], 7[C],
ALA290N911[O], 3[N], 5[C],
ALA290CA1311[O], 4[N], 8[C],
LEU291CA312[C], 1[N],
LEU291N811[O], 2[N], 5[C],
LEU291O413[C], 1[N],
LEU291C514[C], 1[N],
LYS292CA716[C], 1[N],
LYS292N615[C], 1[N],
LYS292CE616[C],
LYS292CB716[C], 1[N],
LYS292NZ515[C],
LYS292CD716[C], 1[N],
LYS292CG616[C],
GLU311OE2111[C],
GLN315CD212[C],
GLN315OE1212[C],
GLN315NE2413[C], 1[N],
VAL324CG11011[O], 2[N], 7[C],
VAL324C211[C], 1[N],
VAL324CB1011[O], 2[N], 7[C],
VAL324CA312[C], 1[N],
VAL324CG21111[O], 2[N], 8[C],
ARG325N111[N],
ARG325O312[C], 1[N],
LEU338O111[C],
LEU338CB111[C],
LEU338CD1111[C],
LEU340N511[O], 1[N], 3[C],
LEU340C811[O], 2[N], 5[C],
LEU340CA811[O], 2[N], 5[C],
LEU340O711[O], 2[N], 4[C],
LEU340CG1011[O], 2[N], 7[C],
LEU340CD21011[O], 2[N], 7[C],
LEU340CD11011[O], 2[N], 7[C],
LEU340CB1011[O], 2[N], 7[C],
GLU341CB611[O], 2[N], 3[C],
GLU341N811[O], 2[N], 5[C],
GLU341CD211[O], 1[N],
GLU341O1411[O], 4[N], 9[C],
GLU341CA711[O], 2[N], 4[C],
GLU341CG311[O], 1[N], 1[C],
GLU341C1111[O], 3[N], 7[C],
TYR342O1011[O], 3[N], 6[C],
TYR342CG1311[O], 4[N], 8[C],
TYR342CE11511[O], 4[N], 10[C],
TYR342CZ1311[O], 4[N], 8[C],
TYR342CD2811[O], 3[N], 4[C],
TYR342N911[O], 3[N], 5[C],
TYR342CD11611[O], 4[N], 11[C],
TYR342CA1411[O], 4[N], 9[C],
TYR342CE2711[O], 1[N], 5[C],
TYR342C1411[O], 4[N], 9[C],
TYR342CB1211[O], 4[N], 7[C],
CYS343N1711[O], 4[N], 12[C],
CYS343CA1711[O], 4[N], 12[C],
CYS343SG1611[O], 4[N], 11[C],
CYS343C1611[O], 4[N], 11[C],
CYS343CB1911[O], 4[N], 14[C],
CYS343O1711[O], 4[N], 12[C],
SER344CB511[O], 1[N], 3[C],
SER344C1211[O], 3[N], 8[C],
SER344OG411[O], 1[N], 2[C],
SER344O1211[O], 3[N], 8[C],
SER344CA1211[O], 3[N], 8[C],
SER344N1411[O], 4[N], 9[C],
GLY345O912[N], 7[C],
GLY345CA912[N], 7[C],
GLY345N1211[O], 3[N], 8[C],
GLY345C1111[O], 7[C], 3[N],
GLY346N1411[O], 3[N], 10[C],
GLY346CA1611[O], 4[N], 11[C],
GLY346O1511[O], 4[N], 10[C],
GLY346C1511[O], 3[N], 11[C],
THR347C716[C], 1[N],
THR347OG11012[N], 8[C],
THR347N1411[O], 3[N], 10[C],
THR347CG21911[O], 4[N], 14[C],
THR347CA1213[N], 9[C],
THR347O616[C],
THR347CB1313[N], 10[C],
SER350OG616[C],
SER350CB414[C],
SER350CA111[C],
GLU392O812[N], 6[C],
GLU392C313[C],
ASN393CA313[C],
ASN393C313[C],
ASN393CG111[C],
ASN393N111[C],
ASN393O212[C],
ASN393CB111[C],
ASN393OD1313[C],
VAL394O712[N], 5[C],
VAL394C313[C],
VAL394N111[C],
LEU395CD11911[O], 4[N], 14[C],
LEU395CG1911[O], 4[N], 14[C],
LEU395CA1511[O], 4[N], 10[C],
LEU395CB1711[O], 4[N], 12[C],
LEU395C611[O], 2[N], 3[C],
LEU395CD21911[O], 4[N], 14[C],
LEU395N711[N], 6[C],
ILE396O911[O], 2[N], 6[C],
ILE396CB111[C],
ILE396C411[O], 1[N], 2[C],
ILE396N1011[O], 3[N], 6[C],
ILE396CA211[N], 1[C],
LEU404O111[C],
LEU404C111[C],
ALA405N414[C],
ALA405CA716[C], 1[N],
ALA405CB1111[O], 2[N], 8[C],
ALA405O313[C],
ALA405C515[C],
ASP406CG816[C], 2[N],
ASP406CB515[C],
ASP406OD21113[N], 8[C],
ASP406C111[C],
ASP406CA515[C],
ASP406N716[C], 1[N],
ASP406OD1816[C], 2[N],
Total = 164



Download csv file of statistical distribution of contacts