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 :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: NACID_M_5(4B5M) / Model_22(4B5M/B) = [6.0] Download--MRLNFRMIPKDQYPSDVKILRVVSINVNGLRSSVTKGLLEWLEQSDADVVCMQESRITHEQWTEKFRPEGWHTHLFPAERAGYAGTAIYSRLPFVSIKDGLGFELADSQGRFISAEFDLGLSHPVHIASLYLPSGSSGEEAQARKDLFLGEYAKILKQWRDENKSIIICGDYNIVHKRIDIKNWSGNQKSSGCLPHERAWLDHIYDELGYVDTFRVVRTEAELYSWWSNRGQARAKNVGWRIDYHACSPDWKARTVNAWVYKDQWFSDHAPVIIDYKIQE
Complex: BCN_A_3(2JC5) / Model_46(2JC5/A) = [3.1] Download784.372.31MRLNFRMIPKDQYPSDVKILRVVSINVNGLRSSVTKGLLEWLEQSDADVVCMQESRITHEQWTEKFRPEGWHTHLFPAERAGYAGTAIYSRLPFVSIKDGLGFELADSQGRFISAEFDLGLSHPVHIASLYLPSGSSGEEAQARKDLFLGEYAKILKQWRDENKSIIICGDYNIVHKRIDIKNWSGNQKSSGCLPHERAWLDHIYDELGYVDTFRVVRTEAELYSWWSNRGQARAKNVGWRIDYHACSPDWKARTVNAWVYKDQWFSDHAPVIIDYKIQE
Consensus
[pKd Mean = 4.55]		-784
(s=0)		2
(s=0)		MRLNFRMIPKDQYPSDVKILRVVSINVNGLRSSVTKGLLEWLEQSDADVVCMQESRITHEQWTEKFRPEGWHTHLFPAERAGYAGTAIYSRLPFVSIKDGLGFELADSQGRFISAEFDLGLSHPVHIASLYLPSGSSGEEAQARKDLFLGEYAKILKQWRDENKSIIICGDYNIVHKRIDIKNWSGNQKSSGCLPHERAWLDHIYDELGYVDTFRVVRTEAELYSWWSNRGQARAKNVGWRIDYHACSPDWKARTVNAWVYKDQWFSDHAPVIIDYKIQE



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]
ASN26CB321[P], 2[O],
ASN26ND2724[O], 2[C], 1[P],
ASN26CG524[O], 1[P],
ASN26OD1524[O], 1[P],
ASN26CA121[O],
ASN26C121[O],
ASN26O121[O],
ASN28ND2222[O],
ASN28CA121[O],
ASN28N121[O],
ASN28CG322[O], 1[P],
ASN28CB222[O],
ASN28OD1421[P], 3[O],
GLU54OE2621[P], 1[C], 4[O],
GLU54OE1524[O], 1[P],
GLU54CD524[O], 1[P],
GLU54CA121[O],
GLU54CG524[O], 1[P],
GLU54CB423[O], 1[P],
TYR131CG321[P], 2[O],
TYR131CD1624[O], 1[C], 1[P],
TYR131CE2423[O], 1[P],
TYR131CE1821[P], 3[C], 4[O],
TYR131CZ721[P], 2[C], 4[O],
TYR131CD2321[P], 2[O],
LEU132O1221[P], 5[C], 6[O],
LEU132CB121[O],
LEU132C321[C], 2[O],
LEU132CG121[O],
LEU132CD2221[O], 1[C],
PRO133CA421[C], 3[O],
PRO133C1324[O], 1[P], 1[N], 7[C],
PRO133N222[O],
PRO133O1221[N], 7[C], 4[O],
PRO133CB121[O],
SER134N1721[N], 7[C], 1[P], 8[O],
SER134C2121[N], 10[C], 1[P], 9[O],
SER134CB26211[C], 1[N], 2[P], 12[O],
SER134CA22210[O], 1[P], 1[N], 10[C],
SER134OG26210[C], 1[N], 2[P], 13[O],
SER134O1621[P], 1[N], 6[C], 8[O],
GLY135CA1527[O], 7[C], 1[N],
GLY135O1221[N], 4[C], 7[O],
GLY135C2028[O], 1[P], 10[C], 1[N],
GLY135N2221[P], 11[C], 1[N], 9[O],
SER136CB33213[O], 2[P], 2[N], 16[C],
SER136OG32214[O], 2[P], 15[C], 1[N],
SER136N26212[O], 11[C], 1[N], 2[P],
SER136O2121[P], 3[N], 7[C], 10[O],
SER136C23212[C], 1[N], 1[P], 9[O],
SER136CA2921[P], 14[C], 1[N], 13[O],
SER137CB323[O],
SER137O121[O],
SER137N17210[O], 1[N], 5[C], 1[P],
SER137OG323[O],
SER137CA821[P], 1[C], 6[O],
SER137C222[O],
GLY138N121[O],
ALA141O121[O],
ALA141C121[O],
ALA141CB222[O],
GLN142CD322[O], 1[C],
GLN142NE2321[C], 2[O],
GLN142CB121[O],
GLN142N121[O],
GLN142OE1522[C], 3[O],
GLN142CA222[O],
GLN142CG121[O],
LYS145CG422[O], 2[C],
LYS145CA121[O],
LYS145CB321[C], 2[O],
LYS145CE1023[O], 1[N], 6[C],
LYS145NZ1927[O], 1[N], 11[C],
LYS145CD723[O], 3[C], 1[N],
ASP171OD11826[O], 1[P], 10[C], 1[N],
ASP171C222[O],
ASP171OD21721[N], 9[C], 1[P], 6[O],
ASP171O222[O],
ASP171CB523[O], 1[C], 1[P],
ASP171CG1326[C], 1[N], 1[P], 5[O],
ASP171CA222[O],
TYR172C725[C], 2[O],
TYR172O523[C], 2[O],
ASN173C18211[C], 1[N], 1[P], 5[O],
ASN173CA2021[N], 11[C], 1[P], 7[O],
ASN173N1721[N], 9[C], 1[P], 6[O],
ASN173O20211[C], 1[N], 8[O],
ASN173CG2321[P], 1[N], 11[C], 10[O],
ASN173CB2229[O], 1[P], 11[C], 1[N],
ASN173OD12121[P], 1[N], 10[C], 9[O],
ASN173ND226212[O], 1[N], 11[C], 2[P],
ILE174CD1121[O],
ILE174CA921[N], 6[C], 2[O],
ILE174N1223[O], 8[C], 1[N],
ILE174C521[O], 1[N], 3[C],
ILE174CB421[O], 3[C],
ILE174O121[C],
ILE174CG1421[O], 3[C],
VAL175N621[N], 4[C], 1[O],
VAL175CB323[C],
VAL175CG2323[C],
VAL175CA121[C],
VAL175CG1524[C], 1[N],
ILE181CB322[O], 1[P],
ILE181CD11428[C], 1[P], 5[O],
ILE181C121[O],
ILE181CG1821[P], 3[C], 4[O],
ILE181O121[O],
ILE181CA121[O],
ILE181CG2221[C], 1[O],
LYS182CE121[O],
LYS182CG621[C], 1[P], 4[O],
LYS182O121[O],
LYS182N322[O], 1[P],
LYS182C422[O], 1[C], 1[P],
LYS182CB521[P], 1[C], 3[O],
LYS182CA321[P], 2[O],
ASN183CG2628[O], 2[N], 14[C], 2[P],
ASN183CB2127[O], 1[P], 2[N], 11[C],
ASN183O1024[O], 1[N], 4[C], 1[P],
ASN183CA823[C], 1[P], 4[O],
ASN183OD119210[C], 2[N], 1[P], 6[O],
ASN183N621[P], 1[C], 4[O],
ASN183C421[P], 1[C], 2[O],
ASN183ND22829[O], 2[P], 14[C], 3[N],
TRP184N222[O],
GLY186C1321[P], 6[C], 2[N], 4[O],
GLY186CA922[N], 5[C], 2[O],
GLY186O1821[P], 11[C], 3[N], 3[O],
GLY186N322[O], 1[C],
ASN187N923[O], 1[N], 4[C], 1[P],
ASN187OD13621[P], 4[N], 21[C], 10[O],
ASN187CB1927[O], 9[C], 2[N], 1[P],
ASN187CA1324[O], 1[P], 6[C], 2[N],
ASN187CG3224[N], 16[C], 2[P], 10[O],
ASN187ND239212[O], 5[N], 20[C], 2[P],
ASN187O222[C],
ASN187C222[C],
LYS189O222[C],
LYS189C222[C],
SER190O1621[N], 7[C], 1[P], 7[O],
SER190CB33216[C], 5[N], 1[P], 11[O],
SER190OG32215[C], 5[N], 2[P], 10[O],
SER190C2021[P], 1[N], 11[C], 7[O],
SER190CA2421[P], 3[N], 14[C], 6[O],
SER190N521[N], 3[C], 1[O],
SER191N23213[C], 1[N], 1[P], 8[O],
SER191OG21211[C], 1[N], 1[P], 8[O],
SER191CA2121[P], 1[N], 11[C], 8[O],
SER191CB22211[C], 1[N], 1[P], 9[O],
SER191O31211[O], 1[N], 18[C], 1[P],
SER191C23212[C], 1[N], 1[P], 9[O],
GLY192N2128[O], 1[P], 11[C], 1[N],
GLY192CA22212[C], 1[N], 1[P], 8[O],
GLY192O1221[N], 8[C], 3[O],
GLY192C1626[O], 1[N], 9[C],
CYS193CB424[C],
CYS193CA323[C],
CYS193N1124[O], 1[N], 6[C],
LEU194CD1121[O],
GLU197OE1722[O], 1[N], 4[C],
GLU197CD523[C], 2[O],
GLU197OE2721[N], 3[C], 3[O],
GLU197CG121[O],
TRP226O222[O],
TRP226CZ236216[C], 1[N], 3[P], 16[O],
TRP226CG2229[O], 1[P], 1[N], 11[C],
TRP226CE33523[P], 15[C], 1[N], 16[O],
TRP226NE12521[N], 12[C], 2[P], 10[O],
TRP226C421[C], 3[O],
TRP226CA422[C], 2[O],
TRP226CE233216[O], 1[N], 14[C], 2[P],
TRP226CB1421[N], 9[C], 1[P], 3[O],
TRP226CZ340218[O], 18[C], 1[N], 3[P],
TRP226CD230213[O], 13[C], 1[N], 3[P],
TRP226CD12121[P], 1[N], 11[C], 8[O],
TRP227O724[O], 3[C],
TRP227CG221[C], 1[O],
TRP227CA824[C], 1[P], 3[O],
TRP227CD1221[O], 1[C],
TRP227N323[O],
TRP227C1321[P], 6[C], 6[O],
TRP227CB422[O], 2[C],
SER228CA3022[P], 15[C], 13[O],
SER228OG36212[O], 2[P], 18[C], 4[N],
SER228O1326[C], 1[P], 6[O],
SER228CB41215[O], 21[C], 3[N], 2[P],
SER228N25211[O], 2[P], 12[C],
SER228C1527[C], 1[P], 7[O],
ASN229C723[O], 4[C],
ASN229CA422[C], 2[O],
ASN229O423[O], 1[C],
ASN229N1025[O], 4[C], 1[P],
ARG230O2222[P], 2[N], 9[C], 9[O],
ARG230NE3628[O], 2[P], 8[N], 18[C],
ARG230CZ3529[O], 16[C], 8[N], 2[P],
ARG230CA2829[O], 2[P], 15[C], 2[N],
ARG230N2422[P], 2[N], 12[C], 8[O],
ARG230CB39218[C], 6[N], 2[P], 13[O],
ARG230CG40212[O], 2[P], 20[C], 6[N],
ARG230C2422[P], 2[N], 11[C], 9[O],
ARG230CD43212[O], 2[P], 8[N], 21[C],
GLY231O1325[O], 7[C], 1[P],
GLY231N2522[N], 13[C], 1[P], 9[O],
GLY231C1821[N], 8[C], 1[P], 8[O],
GLY231CA2528[O], 2[P], 3[N], 12[C],
GLN232CB924[O], 4[C], 1[P],
GLN232CA1321[P], 7[C], 5[O],
GLN232CD621[C], 1[P], 4[O],
GLN232CG1025[O], 4[C], 1[P],
GLN232O1225[C], 1[P], 6[O],
GLN232OE1624[O], 1[P], 1[C],
GLN232C1426[O], 1[P], 7[C],
GLN232N1728[C], 1[P], 8[O],
GLN232NE2221[P], 1[O],
ALA233CA1829[O], 1[N], 6[C], 2[P],
ALA233C1222[P], 4[C], 6[O],
ALA233N1526[O], 7[C], 2[P],
ALA233O923[C], 1[P], 5[O],
ALA233CB2122[P], 9[C], 1[N], 9[O],
ARG234N823[C], 1[P], 4[O],
ARG234CA221[C], 1[O],
ALA235N121[O],
ALA235CA121[O],
ALA235CB121[O],
ALA235C121[O],
LYS236CE1829[C], 1[P], 8[O],
LYS236NZ2022[P], 11[C], 7[O],
LYS236CG724[O], 2[C], 1[P],
LYS236C321[P], 2[O],
LYS236N421[P], 3[O],
LYS236CB823[C], 1[P], 4[O],
LYS236CA423[O], 1[P],
LYS236O322[O], 1[P],
LYS236CD924[O], 4[C], 1[P],
ASN237N222[O],
ASN237C322[O], 1[C],
ASN237O121[C],
VAL238CG12322[P], 2[N], 10[C], 9[O],
VAL238CG21628[O], 2[P], 6[C],
VAL238N1126[O], 3[C], 2[P],
VAL238CB1929[O], 7[C], 1[N], 2[P],
VAL238O1928[O], 2[P], 9[C],
VAL238C1327[O], 4[C], 2[P],
VAL238CA1422[P], 4[C], 8[O],
GLY239N723[O], 3[C], 1[P],
GLY239CA623[O], 1[P], 2[C],
GLY239O621[C], 1[P], 4[O],
GLY239C523[O], 1[P], 1[C],
TRP240CD230215[C], 1[N], 2[P], 12[O],
TRP240CD12921[N], 16[C], 2[P], 10[O],
TRP240CG28210[O], 2[P], 15[C], 1[N],
TRP240CA423[C], 1[O],
TRP240CE32922[P], 15[C], 1[N], 11[O],
TRP240NE133212[O], 18[C], 1[N], 2[P],
TRP240CZ23722[P], 19[C], 3[N], 13[O],
TRP240CB1721[P], 10[C], 1[N], 5[O],
TRP240CE23221[N], 17[C], 2[P], 12[O],
TRP240CZ330212[O], 1[N], 15[C], 2[P],
TRP240N421[P], 1[C], 2[O],
ILE242O121[C],
ILE242CG11721[P], 1[N], 11[C], 4[O],
ILE242C121[C],
ILE242CG21721[N], 11[C], 5[O],
ILE242CD12721[N], 12[C], 2[P], 12[O],
ILE242CA626[C],
ILE242CB1821[P], 11[C], 1[N], 5[O],
ASP243OD1321[C], 2[O],
ASP243CG121[O],
ASP243OD2121[O],
SER267OG121[O],
ASP268C222[O],
ASP268O222[O],
ASP268CA121[O],
ASP268N121[O],
ASP268CB423[O], 1[P],
ASP268OD21226[O], 5[C], 1[P],
ASP268CG722[C], 1[P], 4[O],
ASP268OD1521[P], 4[O],
HIS269N121[O],
HIS269CD2823[C], 1[P], 4[O],
HIS269CE11526[O], 1[P], 1[N], 7[C],
HIS269ND1924[C], 1[P], 4[O],
HIS269CG624[O], 1[P], 1[C],
HIS269NE21521[P], 1[N], 7[C], 6[O],
HIS269CB221[O], 1[P],
HIS269CA121[O],
Total = 287



Download csv file of statistical distribution of contacts