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



Prediction Binding Site :


Binding Site Prediction
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Binding Site Number :C2_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 C2_S1
Complex: ATP_A_4(1J09) / Model_2(1J09/A) = [7.4] Download1507.5022.36MKVRTRIAPSPTGFPHVGTAYIALFNMCFAKQHGGEFILRIEDTDQLRSTPESEKMILDSLRWLGLNWSEGPDVGGPHAPYRQSERMGIYKQYALELVEKGHAFYCFATAEELDQMRAEQQARGETPKYDGRGLKLSQEEVARRLEAGEPHVIRMKVPEEGVCKFNDLLRGEVEIPWAQVDMQVLLKTDGLPTYHLANVVDDHLMEITHVLRGEEWLPSAPKHQLLYQYFGWEMPTLCHMPLLRNPDKSKLSKRKNPTSINYYRDIGVLPEALLNYLGRMGWSMPDEREVFTLQDMMDNFDIQRVSLGGPIFDVEKLNWLNGQWIKGLTPGQLLDRLLTWKSDRSTLEDIAAAIQPRINLLSEAVNWAGFYFNHMPQITAEMFESKKLTQEQVRQSLQFAIWRLESQFTWNNDTVGQTLMDLANQMGIKLRDFMPTFFIAIAGSTSSTPVMQSMVTLGPDLTFARLRHALEIVGAPSKKEVKNWEKLNESLKLPKNEATSEA
Consensus
[pKd Mean = 7.40]		-1507
(s=0)		22
(s=0)		MKVRTRIAPSPTGFPHVGTAYIALFNMCFAKQHGGEFILRIEDTDQLRSTPESEKMILDSLRWLGLNWSEGPDVGGPHAPYRQSERMGIYKQYALELVEKGHAFYCFATAEELDQMRAEQQARGETPKYDGRGLKLSQEEVARRLEAGEPHVIRMKVPEEGVCKFNDLLRGEVEIPWAQVDMQVLLKTDGLPTYHLANVVDDHLMEITHVLRGEEWLPSAPKHQLLYQYFGWEMPTLCHMPLLRNPDKSKLSKRKNPTSINYYRDIGVLPEALLNYLGRMGWSMPDEREVFTLQDMMDNFDIQRVSLGGPIFDVEKLNWLNGQWIKGLTPGQLLDRLLTWKSDRSTLEDIAAAIQPRINLLSEAVNWAGFYFNHMPQITAEMFESKKLTQEQVRQSLQFAIWRLESQFTWNNDTVGQTLMDLANQMGIKLRDFMPTFFIAIAGSTSSTPVMQSMVTLGPDLTFARLRHALEIVGAPSKKEVKNWEKLNESLKLPKNEATSEA



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]
ILE7CB111[O],
ILE7C111[O],
ALA8CA111[O],
ALA8C312[C], 1[O],
ALA8O512[O], 3[C],
ALA8CB111[O],
ALA8N111[O],
PRO9C413[C], 1[O],
PRO9O211[O], 1[C],
PRO9CG211[C], 1[O],
PRO9N311[O], 2[C],
PRO9CA713[O], 4[C],
PRO9CD111[O],
PRO9CB512[O], 3[C],
SER10O1111[P], 4[C], 6[O],
SER10OG613[O], 3[C],
SER10C711[P], 3[O], 3[C],
SER10N914[C], 4[O], 1[P],
SER10CA713[O], 3[C], 1[P],
SER10CB911[P], 4[O], 4[C],
PRO11C211[C], 1[O],
PRO11CA211[O], 1[C],
PRO11O111[O],
PRO11N311[O], 2[C],
THR12CG2811[P], 2[C], 5[O],
THR12CA311[P], 1[O], 1[C],
THR12OG1912[P], 5[O], 2[C],
THR12CB611[P], 4[O], 1[C],
THR12C111[O],
THR12N311[O], 1[C], 1[P],
GLY13N111[O],
PHE14O611[P], 2[C], 3[O],
PHE14N111[O],
PHE14C111[O],
PRO15C312[C], 1[O],
HIS16NE23113[P], 5[N], 13[O], 10[C],
HIS16CE13013[P], 5[N], 12[O], 10[C],
HIS16O1212[N], 3[O], 7[C],
HIS16CB23110[O], 8[C], 3[N], 2[P],
HIS16CA1712[N], 2[P], 6[O], 7[C],
HIS16ND127110[C], 10[O], 2[P], 5[N],
HIS16CD23113[P], 5[N], 13[O], 10[C],
HIS16N914[O], 4[C], 1[P],
HIS16CG27110[O], 10[C], 2[P], 5[N],
HIS16C1613[N], 8[C], 5[O],
VAL17CB712[N], 1[O], 4[C],
VAL17CG11315[N], 2[O], 6[C],
VAL17CA1013[N], 6[C], 1[O],
VAL17O1113[N], 1[O], 7[C],
VAL17N1317[C], 3[O], 3[N],
VAL17C1511[O], 9[C], 5[N],
GLY18O19110[C], 4[O], 5[N],
GLY18N21110[C], 6[O], 5[N],
GLY18C1914[O], 10[C], 5[N],
GLY18CA22110[C], 6[O], 5[N], 1[P],
THR19N19110[C], 5[O], 4[N],
THR19CB1216[C], 4[O], 2[N],
THR19OG11611[P], 2[N], 6[O], 7[C],
THR19C1117[C], 2[O], 2[N],
THR19CG2715[C], 2[O],
THR19CA1514[O], 9[C], 2[N],
THR19O611[N], 3[C], 2[O],
ALA20N512[O], 2[C], 1[N],
TYR21CD1311[C], 2[N],
TYR21C211[N], 1[C],
TYR21CE2915[C], 4[N],
TYR21CB911[O], 5[C], 3[N],
TYR21CA412[C], 2[N],
TYR21CE1312[N], 1[C],
TYR21O111[C],
TYR21CD21215[N], 1[O], 6[C],
TYR21CG814[N], 4[C],
TYR21N411[N], 1[O], 2[C],
TYR21CZ513[C], 2[N],
ILE22CB1213[O], 6[C], 3[N],
ILE22N813[N], 3[C], 2[O],
ILE22CG2814[C], 3[O], 1[N],
ILE22CG11519[C], 3[O], 3[N],
ILE22CA511[N], 1[O], 3[C],
ILE22CD11313[N], 3[O], 7[C],
ARG48CD212[O],
ARG48CZ111[O],
ARG48NE313[O],
ARG212O311[O], 1[C], 1[N],
ARG212CG111[O],
ARG212CD111[O],
ARG212CA311[N], 2[O],
ARG212C712[O], 4[C], 1[N],
ARG212CB312[O], 1[C],
GLY213N1313[N], 3[O], 7[C],
GLY213CA1613[O], 8[C], 5[N],
GLY213O814[C], 2[O], 2[N],
GLY213C1113[N], 2[O], 6[C],
GLU214CG512[C], 3[N],
GLU214N814[C], 1[O], 3[N],
GLU214OE2412[N], 2[C],
GLU214CA311[N], 1[C], 1[O],
GLU214C111[O],
GLU214CD111[N],
GLU215OE12913[P], 5[N], 11[O], 10[C],
GLU215CG2115[N], 7[O], 9[C],
GLU215CA511[O], 3[C], 1[N],
GLU215CB1515[N], 2[O], 8[C],
GLU215CD2915[N], 3[P], 11[O], 10[C],
GLU215OE230110[C], 12[O], 5[N], 3[P],
GLU215O111[O],
GLU215N915[C], 1[O], 3[N],
GLU215C211[O], 1[C],
TRP216CZ3412[O], 2[C],
TRP216N211[O], 1[C],
TRP216NE11713[N], 9[C], 5[O],
TRP216CD11217[C], 3[O], 2[N],
TRP216CB211[C], 1[O],
TRP216CG512[O], 3[C],
TRP216CA111[O],
TRP216CZ21617[C], 7[O], 1[P], 1[N],
TRP216CE3412[O], 2[C],
TRP216CE21512[N], 1[P], 5[O], 7[C],
TRP216CD2512[O], 3[C],
MET240O512[N], 3[C],
MET240C311[C], 2[N],
MET240CB311[C], 2[N],
MET240CA111[C],
PRO241CA412[N], 2[C],
PRO241O714[C], 3[N],
PRO241C713[N], 4[C],
PRO241N211[C], 1[N],
PRO241CB211[N], 1[C],
LEU242CD11115[N], 1[O], 5[C],
LEU242N814[N], 4[C],
LEU242O714[C], 3[N],
LEU242CB1015[N], 5[C],
LEU242C1015[C], 5[N],
LEU242CG1315[N], 1[O], 7[C],
LEU242CA1015[N], 5[C],
LEU242CD21618[C], 3[O], 5[N],
LEU243CD2713[N], 4[C],
LEU243CB1015[C], 5[N],
LEU243N1015[N], 5[C],
LEU243CG1116[C], 5[N],
LEU243O1015[N], 5[C],
LEU243CA1015[N], 5[C],
LEU243C814[N], 4[C],
LEU243CD11216[C], 1[O], 5[N],
ARG244C311[C], 2[N],
ARG244NE412[C], 2[N],
ARG244CZ212[N],
ARG244N512[N], 3[C],
ARG244CD512[N], 3[C],
ARG244CA311[C], 2[N],
ARG244O111[N],
ARG244CB311[C], 2[N],
ARG244CG312[N], 1[C],
ASN245CG111[N],
ASN245OD1111[N],
ASN245N111[N],
ASN245ND2111[N],
SER249C211[N], 1[C],
SER249O211[N], 1[C],
LYS250C1213[O], 5[C], 1[P], 3[N],
LYS250O1011[P], 3[N], 3[O], 3[C],
LYS250N311[C], 2[N],
LYS250CB1214[N], 3[O], 5[C],
LYS250NZ30110[C], 12[O], 3[P], 5[N],
LYS250CG1815[O], 6[C], 2[P], 5[N],
LYS250CE29110[C], 11[O], 5[N], 3[P],
LYS250CD2215[N], 2[P], 7[C], 8[O],
LYS250CA815[C], 3[N],
LEU251N1411[P], 5[N], 3[O], 5[C],
LEU251CG1014[N], 5[C], 1[O],
LEU251CB1312[O], 5[C], 5[N], 1[P],
LEU251O2517[C], 10[O], 5[N], 3[P],
LEU251C1812[P], 5[N], 5[C], 6[O],
LEU251CD2412[C], 2[N],
LEU251CA1415[N], 1[P], 3[O], 5[C],
LEU251CD1814[C], 4[N],
SER252OG1619[O], 2[C], 3[P], 2[N],
SER252C1813[P], 3[N], 9[O], 3[C],
SER252CA2014[C], 9[O], 3[P], 4[N],
SER252CB1612[N], 3[P], 3[C], 8[O],
SER252N1714[C], 7[O], 2[P], 4[N],
SER252O1212[N], 2[P], 7[O], 1[C],
LYS253CA15110[O], 1[C], 1[N], 3[P],
LYS253CE1613[C], 10[O], 3[P],
LYS253NZ1613[P], 11[O], 2[C],
LYS253CB1713[P], 1[N], 2[C], 11[O],
LYS253C1113[P], 8[O],
LYS253O712[P], 5[O],
LYS253CD18111[O], 3[C], 1[N], 3[P],
LYS253N21111[O], 4[C], 3[P], 3[N],
LYS253CG16110[O], 2[C], 1[N], 3[P],
ARG254C614[O], 2[P],
ARG254CZ1219[O], 3[P],
ARG254O111[O],
ARG254N1013[P], 7[O],
ARG254NE1219[O], 3[P],
ARG254CB912[P], 7[O],
ARG254CG1219[O], 3[P],
ARG254CD1018[O], 2[P],
ARG254CA812[P], 6[O],
LYS255N614[O], 2[P],
LYS255CE111[O],
LYS255CB212[O],
LYS255CA212[O],
ASN256OD1211[O], 1[N],
ASN256CG111[O],
ASN256N111[O],
ASN256ND2211[O], 1[N],
ASN256O111[O],
THR258O212[O],
THR258N111[O],
THR258CA111[O],
THR258OG11212[C], 7[O], 1[N], 2[P],
THR258C111[O],
THR258CG21414[N], 1[P], 4[C], 5[O],
THR258CB1512[P], 3[N], 5[O], 5[C],
PRO310O212[N],
PRO310CD111[N],
PHE312CB111[N],
Total = 219



Download csv file of statistical distribution of contacts