Binding Site Information :
Doc...
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 :C4_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 C4_S1
Complex: BLG_A_2(5MPQ) / Model_1(5MPQ/A) = [5.7] Download1674.7521.96MRPGKKSSSNKSRVMKNKYAHRSWLGAVCLLGCSLSYAAEEQFNDALNAANSGNTALLDQYQLAMQNDVLGYYPEYWKLNTNLGFQSPTSIVSFAQRYPQSAMAEKLAADYVEEKVKQADFASAQPILPYVSNPDQAENCALAQVRAKSGDALVFAEYKDVWLATESQPESCIGLGRMMLSSPLMSTQDKQQRLWVQLRAGLSGQALATAQTLGLNLSLAQLNQIQANPLNYLWSAPKTNDVDYAYLIFALGRLANNDLGNAFANVQRVAQGTPESVQKYLYRTVAYIGGTTVMKNNFNREVLQYFDASYGYPLSPEEAEIYARQAIRFSAWESLIRAIDSMSVSQKQEDRWQYWLARATEQRGDSNSKNTAQCIYKKLAESGDDYHNLLAKDRLGVRYNHQPYNDEPTASDLRRLDQNIHFNRAFTLRRINVNPTYTNREWNWAVRQAYLQHDDGLLLAAAKRAHDMGWYDRAIYAADRTTNKHNDTYRYVTPHKTNVVSHSYNAGIDPAWAYGLMRQESRFVTSARSHVGAGGLMQIMPDTAKLIARQMGETYNPAALSEMNTNIRYGTFYLSMIQGQLSNNPVLATAGYNAGPNRARRWQPDYQPIEADQYTETIPLLETRDYVKHVMTNATHYGVILGQGAQSLIQRMKVIPTRSSP
Consensus
[pKd Mean = 5.70]		-1674
(s=0)		21
(s=0)		MRPGKKSSSNKSRVMKNKYAHRSWLGAVCLLGCSLSYAAEEQFNDALNAANSGNTALLDQYQLAMQNDVLGYYPEYWKLNTNLGFQSPTSIVSFAQRYPQSAMAEKLAADYVEEKVKQADFASAQPILPYVSNPDQAENCALAQVRAKSGDALVFAEYKDVWLATESQPESCIGLGRMMLSSPLMSTQDKQQRLWVQLRAGLSGQALATAQTLGLNLSLAQLNQIQANPLNYLWSAPKTNDVDYAYLIFALGRLANNDLGNAFANVQRVAQGTPESVQKYLYRTVAYIGGTTVMKNNFNREVLQYFDASYGYPLSPEEAEIYARQAIRFSAWESLIRAIDSMSVSQKQEDRWQYWLARATEQRGDSNSKNTAQCIYKKLAESGDDYHNLLAKDRLGVRYNHQPYNDEPTASDLRRLDQNIHFNRAFTLRRINVNPTYTNREWNWAVRQAYLQHDDGLLLAAAKRAHDMGWYDRAIYAADRTTNKHNDTYRYVTPHKTNVVSHSYNAGIDPAWAYGLMRQESRFVTSARSHVGAGGLMQIMPDTAKLIARQMGETYNPAALSEMNTNIRYGTFYLSMIQGQLSNNPVLATAGYNAGPNRARRWQPDYQPIEADQYTETIPLLETRDYVKHVMTNATHYGVILGQGAQSLIQRMKVIPTRSSP



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]
LEU516CD2312[C], 1[O],
LEU516CG311[O], 2[C],
LEU516O111[O],
LEU516CD1312[C], 1[O],
GLN519CG111[O],
GLN519NE2211[O], 1[C],
GLN519O111[O],
GLU520C512[C], 1[N], 2[O],
GLU520CB511[N], 1[O], 3[C],
GLU520OE119111[C], 1[S], 4[O], 3[N],
GLU520CA511[O], 1[N], 3[C],
GLU520CD1613[O], 3[N], 10[C],
GLU520N311[C], 1[N], 1[O],
GLU520O1014[O], 1[N], 1[S], 4[C],
GLU520CG711[O], 1[N], 5[C],
GLU520OE217110[C], 3[N], 4[O],
ARG528O611[S], 1[C], 4[O],
ARG528CB111[O],
ARG528N111[O],
ARG528C713[C], 1[S], 3[O],
ARG528CA212[O],
SER529CA1212[N], 4[O], 5[C], 1[S],
SER529O914[O], 1[N], 3[C], 1[S],
SER529CB1512[N], 4[O], 8[C], 1[S],
SER529OG1718[C], 1[S], 6[O], 2[N],
SER529N1114[O], 2[N], 1[S], 4[C],
SER529C1114[O], 2[N], 4[C], 1[S],
HIS530CG814[O], 1[N], 2[C], 1[S],
HIS530ND1611[S], 2[C], 3[O],
HIS530NE2613[O], 2[C], 1[S],
HIS530CB914[O], 1[N], 3[C], 1[S],
HIS530N1011[N], 4[O], 4[C], 1[S],
HIS530CD2812[C], 1[S], 4[O], 1[N],
HIS530CE1511[S], 1[C], 3[O],
HIS530C911[S], 3[C], 1[N], 4[O],
HIS530O713[C], 1[S], 3[O],
HIS530CA911[N], 4[O], 3[C], 1[S],
VAL531CB1611[S], 7[C], 6[O], 2[N],
VAL531N1212[N], 4[O], 5[C], 1[S],
VAL531CG11416[C], 1[S], 2[N], 5[O],
VAL531CA1115[C], 1[S], 2[N], 3[O],
VAL531O714[C], 1[N], 2[O],
VAL531CG22212[N], 7[O], 1[S], 12[C],
VAL531C915[C], 2[O], 2[N],
GLY532N1012[O], 2[N], 1[S], 5[C],
GLY532C1016[C], 2[O], 2[N],
GLY532O312[C], 1[O],
GLY532CA512[O], 3[C],
ALA533CA2116[O], 3[N], 12[C],
ALA533N1614[O], 2[N], 1[S], 9[C],
ALA533C1317[C], 2[N], 4[O],
ALA533O1112[N], 2[O], 7[C],
ALA533CB2213[N], 6[O], 12[C], 1[S],
GLY534N1218[C], 1[N], 3[O],
GLY534O413[C], 1[O],
GLY534CA111[O],
MET537CG111[C],
MET537CA514[C], 1[O],
MET537CE111[C],
MET537N212[C],
MET537CB313[C],
MET537C1015[C], 3[O], 2[N],
MET537O1419[C], 3[O], 2[N],
GLN538CD1512[N], 4[O], 8[C], 1[S],
GLN538OE11718[C], 1[S], 2[N], 6[O],
GLN538C17110[C], 2[N], 5[O],
GLN538CG1712[N], 5[O], 9[C], 1[S],
GLN538CB1813[N], 4[O], 11[C],
GLN538CA1519[C], 4[O], 2[N],
GLN538N1115[C], 2[N], 4[O],
GLN538NE2812[O], 1[N], 5[C],
GLN538O2113[N], 6[O], 12[C],
ILE539CD1411[O], 1[N], 2[C],
ILE539CA18110[C], 6[O], 2[N],
ILE539CG1812[O], 1[N], 5[C],
ILE539N1519[C], 2[N], 4[O],
ILE539CB1117[C], 3[O], 1[N],
ILE539O1312[N], 3[O], 8[C],
ILE539C1812[N], 6[O], 10[C],
ILE539CG21111[N], 3[O], 7[C],
MET540CG28114[C], 1[S], 3[N], 10[O],
MET540CE23114[C], 6[O], 3[N],
MET540O911[N], 3[O], 5[C],
MET540SD27116[C], 8[O], 3[N],
MET540CA2116[O], 2[N], 13[C],
MET540N22113[C], 2[N], 7[O],
MET540CB2711[S], 14[C], 10[O], 2[N],
MET540C1414[O], 1[N], 9[C],
PRO541CA111[O],
PRO541N512[O], 3[C],
PRO541C111[O],
PRO541O111[O],
PRO541CD312[O], 1[C],
ASP542O313[O],
ASP542CG313[O],
ASP542C714[C], 3[O],
ASP542OD2513[O], 1[S], 1[C],
ASP542N212[O],
ASP542CA313[O],
ASP542CB911[S], 3[C], 5[O],
THR543OG12319[O], 1[N], 12[C], 1[S],
THR543CA1511[N], 7[O], 6[C], 1[S],
THR543CG21711[S], 7[C], 8[O], 1[N],
THR543O713[C], 3[O], 1[N],
THR543N1711[S], 7[C], 1[N], 8[O],
THR543CB2119[O], 1[N], 1[S], 10[C],
THR543C813[O], 1[N], 4[C],
ALA544N613[C], 1[N], 2[O],
ALA544CB111[O],
ALA544CA312[C], 1[O],
LEU546CB212[O],
LEU546CG111[O],
LEU546CD2312[O], 1[S],
ILE547CG1412[O], 2[C],
ILE547CD1511[N], 2[O], 2[C],
LEU560CD1111[O],
TYR569CB111[C],
TYR569O312[C], 1[O],
TYR569C111[C],
GLY570C111[C],
GLY570O212[C],
GLY570N212[C],
GLY570CA311[O], 2[C],
THR571N111[C],
TYR573CD219110[C], 1[S], 7[O], 1[N],
TYR573CG1011[N], 3[O], 6[C],
TYR573O312[C], 1[N],
TYR573CZ1818[O], 1[N], 8[C], 1[S],
TYR573CB712[O], 1[N], 4[C],
TYR573C312[C], 1[N],
TYR573N111[C],
TYR573CA412[C], 1[O], 1[N],
TYR573CD11011[N], 4[O], 5[C],
TYR573CE222111[C], 1[S], 9[O], 1[N],
TYR573CE11415[O], 1[N], 1[S], 7[C],
LEU574CA111[C],
LEU574CG111[C],
LEU574N212[C],
LEU574CD2111[C],
ILE577CD11111[S], 5[C], 4[O], 1[N],
ILE577CB111[O],
ILE577CG1815[C], 1[N], 2[O],
GLN580OE1111[O],
THR589C111[O],
THR589O311[O], 1[N], 1[C],
ALA590O1117[C], 3[O], 1[N],
ALA590C111[O],
GLY591N111[O],
GLY591C1811[S], 10[C], 6[O], 1[N],
GLY591O23111[C], 1[S], 10[O], 1[N],
GLY591CA1013[O], 1[N], 5[C], 1[S],
TYR592CZ1414[O], 2[N], 8[C],
TYR592CA1916[O], 2[N], 11[C],
TYR592CD118111[C], 2[N], 5[O],
TYR592CE117110[C], 5[O], 2[N],
TYR592C2311[S], 13[C], 7[O], 2[N],
TYR592CB1615[O], 1[N], 10[C],
TYR592O27114[C], 1[S], 2[N], 10[O],
TYR592CG1515[O], 2[N], 8[C],
TYR592CE21311[N], 4[O], 8[C],
TYR592N17110[C], 1[N], 6[O],
TYR592CD21311[N], 4[O], 8[C],
ASN593CG21114[C], 4[O], 3[N],
ASN593O30111[O], 3[N], 15[C], 1[S],
ASN593ND22114[O], 3[N], 14[C],
ASN593C2811[S], 14[C], 10[O], 3[N],
ASN593CA2518[O], 3[N], 14[C],
ASN593CB2113[N], 4[O], 14[C],
ASN593N2217[O], 2[N], 13[C],
ASN593OD11913[N], 4[O], 12[C],
ALA594O1818[O], 1[N], 8[C], 1[S],
ALA594C2111[N], 9[O], 10[C], 1[S],
ALA594N2511[S], 13[C], 2[N], 9[O],
ALA594CA22111[C], 1[S], 1[N], 9[O],
ALA594CB1511[S], 7[C], 7[O],
GLY595CA1818[O], 1[N], 8[C], 1[S],
GLY595N2311[S], 11[C], 1[N], 10[O],
GLY595C1516[C], 1[S], 7[O], 1[N],
GLY595O1316[O], 6[C], 1[S],
PRO596N1416[O], 1[N], 6[C], 1[S],
PRO596CA815[O], 2[C], 1[S],
PRO596CD1411[N], 6[O], 1[S], 6[C],
PRO596CG812[C], 1[S], 5[O],
PRO596CB611[S], 1[C], 4[O],
PRO596C312[O], 1[S],
PRO596O111[O],
ASN597CA311[S], 2[O],
ASN597CG514[O], 1[S],
ASN597O111[O],
ASN597OD1211[O], 1[S],
ASN597CB511[S], 4[O],
ASN597ND2511[S], 4[O],
ASN597N511[S], 4[O],
ASN597C211[S], 1[O],
ARG598CA111[O],
ARG598NE714[O], 2[C], 1[S],
ARG598CG611[S], 2[C], 3[O],
ARG598CD813[C], 1[S], 4[O],
ARG598N413[O], 1[S],
ARG598CZ813[C], 1[S], 4[O],
ARG598CB613[O], 1[S], 2[C],
ALA599N111[O],
LEU620CD1111[C],
GLU622OE11818[C], 1[S], 2[N], 7[O],
GLU622CG1411[S], 7[C], 2[N], 4[O],
GLU622C111[N],
GLU622CD1919[C], 1[S], 7[O], 2[N],
GLU622CA211[C], 1[N],
GLU622OE22012[N], 7[O], 1[S], 10[C],
GLU622CB711[S], 4[C], 1[N], 1[O],
GLU622O111[N],
THR623CA111[O],
THR623OG1611[O], 5[C],
THR623CG2111[O],
TYR626CE1916[C], 1[O], 2[N],
TYR626CD1916[C], 1[O], 2[N],
TYR626CZ614[C], 1[O], 1[N],
TYR626CD2511[N], 1[O], 3[C],
TYR626CG611[N], 1[O], 4[C],
TYR626CB111[O],
TYR626CE2614[C], 1[O], 1[N],
VAL630CG2111[O],
Total = 222



Download csv file of statistical distribution of contacts