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 :C4_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 C4_S1
Complex: G2P_B_7(2BZ0) / Model_16(2BZ0/B) = [8.5] Download1303.9713.44MPIEFIATSKLPTAFGEFNISVFQDPVTGEEHVALSKGLENPPTDPVLVRVHSECLTGDAFASLKCDCGPQLQATQKLINEAGQGVILYLRQEGRGIGLTNKIRAYALQDQGHDTVDANLLLNLPADARRYDMCSIMLDHLKVKEVKLITNNPLKIQALKDQGINVVDRVPLTVGRNPFNEQYLKTKRERMAHLYQKDDF
Complex: PPV_B_4(4RL4) / Model_30(4RL4/B) = [4.1] Download411.563.93MPIEFIATSKLPTAFGEFNISVFQDPVTGEEHVALSKGLENPPTDPVLVRVHSECLTGDAFASLKCDCGPQLQATQKLINEAGQGVILYLRQEGRGIGLTNKIRAYALQDQGHDTVDANLLLNLPADARRYDMCSIMLDHLKVKEVKLITNNPLKIQALKDQGINVVDRVPLTVGRNPFNEQYLKTKRERMAHLYQKDDF
Consensus
[pKd Mean = 6.30]		-857
(s=446)		8
(s=4)		MPIEFIATSKLPTAFGEFNISVFQDPVTGEEHVALSKGLENPPTDPVLVRVHSECLTGDAFASLKCDCGPQLQATQKLINEAGQGVILYLRQEGRGIGLTNKIRAYALQDQGHDTVDANLLLNLPADARRYDMCSIMLDHLKVKEVKLITNNPLKIQALKDQGINVVDRVPLTVGRNPFNEQYLKTKRERMAHLYQKDDF



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]
ARG50CG723[P], 4[O],
ARG50C323[O],
ARG50NE1724[P], 12[O], 1[C],
ARG50CD15211[O], 4[P],
ARG50CA222[O],
ARG50CB222[O],
ARG50CZ2122[C], 14[O], 5[P],
VAL51CG1827[O], 1[P],
VAL51N723[P], 4[O],
VAL51CB927[O], 2[P],
VAL51CG2121[O],
VAL51C1521[C], 4[P], 10[O],
VAL51O2122[C], 5[P], 14[O],
VAL51CA922[P], 7[O],
HIS52CD21024[O], 1[P], 5[C],
HIS52CB926[O], 1[P], 2[C],
HIS52ND118210[O], 4[P], 4[C],
HIS52CE11725[C], 9[O], 3[P],
HIS52NE21325[C], 1[P], 7[O],
HIS52N1228[O], 3[P], 1[C],
HIS52CA1824[P], 10[O], 4[C],
HIS52C1825[C], 11[O], 2[P],
HIS52O824[O], 1[P], 3[C],
HIS52CG1121[P], 6[O], 4[C],
SER53CA2123[P], 12[O], 6[C],
SER53CB2626[C], 4[P], 15[O], 1[N],
SER53N2626[C], 15[O], 5[P],
SER53O2227[C], 3[P], 11[O], 1[N],
SER53C2023[P], 10[O], 1[N], 6[C],
SER53OG2526[C], 4[P], 15[O],
GLU54C1126[C], 4[O], 1[N],
GLU54N1225[C], 7[O],
GLU54OE1222[O],
GLU54CD222[O],
GLU54O1327[C], 4[O], 2[N],
GLU54CG422[O], 2[C],
GLU54CA825[C], 3[O],
GLU54CB523[C], 2[O],
CYS55O622[O], 4[C],
CYS55N1021[N], 3[O], 6[C],
CYS55CB1729[C], 5[O], 3[N],
CYS55CA1327[C], 4[O], 2[N],
CYS55C825[C], 2[O], 1[N],
CYS55SG1623[N], 4[O], 9[C],
LEU56C121[O],
LEU56CA221[O], 1[C],
LEU56N522[O], 3[C],
LEU56CB121[O],
THR57N221[C], 1[O],
THR57OG1822[N], 1[O], 5[C],
THR57CB321[O], 1[N], 1[C],
THR57CA121[O],
THR57CG2121[O],
GLY58CA221[C], 1[O],
GLY58N321[O], 2[C],
ASP59OD1523[C], 2[O],
ASP59OD2422[C], 2[O],
ASP59CG422[O], 2[C],
SER63OG121[N],
LYS65O621[O], 2[N], 3[C],
LYS65CB421[O], 1[N], 2[C],
LYS65CA221[O], 1[N],
LYS65C521[O], 1[N], 3[C],
CYS66CB1522[N], 4[O], 9[C],
CYS66N421[N], 1[O], 2[C],
CYS66C221[C], 1[N],
CYS66SG1522[N], 4[O], 9[C],
CYS66CA721[O], 2[N], 4[C],
CYS66O321[C], 1[O], 1[N],
ASP67C1023[C], 5[O], 2[P],
ASP67CG423[O], 1[C],
ASP67OD11223[C], 5[O], 3[P], 1[N],
ASP67CB121[O],
ASP67OD2321[C], 2[O],
ASP67CA323[O],
ASP67N321[O], 1[N], 1[C],
ASP67O1121[C], 8[O], 2[P],
CYS68O422[O], 2[C],
CYS68C422[O], 2[C],
CYS68N1326[C], 2[N], 5[O],
CYS68CA2027[C], 2[N], 3[P], 8[O],
CYS68CB2027[C], 2[N], 3[P], 8[O],
CYS68SG2328[O], 2[P], 3[N], 10[C],
GLN71CB1321[C], 3[P], 9[O],
GLN71CA323[O],
GLN71C323[O],
GLN71O222[O],
GLN71CG19212[O], 5[P], 2[C],
GLN71OE12826[C], 5[P], 17[O],
GLN71CD23216[O], 5[P], 2[C],
GLN71NE22322[C], 16[O], 5[P],
GLN71N121[O],
LEU72N121[O],
THR75CG2121[O],
THR75OG1222[O],
LEU90C121[O],
LEU90CA121[O],
LEU90CB222[O],
LEU90CG121[O],
LEU90O522[O], 3[C],
LEU90CD2222[O],
ARG91O121[O],
ARG91C121[O],
ARG91N121[O],
ARG91CA121[O],
GLN92CB422[O], 2[C],
GLN92C724[C], 3[O],
GLN92CA523[C], 2[O],
GLN92N321[C], 2[O],
GLN92NE2322[O], 1[P],
GLN92OE1121[O],
GLN92CD121[O],
GLN92O1124[O], 2[N], 5[C],
GLN92CG121[O],
GLU93CA1025[C], 3[O], 2[N],
GLU93CD1126[C], 2[N], 3[O],
GLU93C1523[N], 3[O], 9[C],
GLU93O1226[C], 3[N], 3[O],
GLU93CG824[C], 2[O], 2[N],
GLU93OE21523[O], 3[N], 9[C],
GLU93N723[O], 4[C],
GLU93OE1623[C], 1[N], 2[O],
GLU93CB523[C], 2[O],
GLY94C21210[C], 5[N], 6[O],
GLY94CA20210[C], 5[O], 5[N],
GLY94O2025[N], 5[O], 10[C],
GLY94N19210[C], 5[N], 4[O],
ARG95CZ32211[C], 5[N], 13[O], 3[P],
ARG95CA2221[P], 8[O], 4[N], 9[C],
ARG95CG29210[O], 3[P], 5[N], 11[C],
ARG95CB2425[N], 8[O], 1[P], 10[C],
ARG95NE3225[N], 3[P], 13[O], 11[C],
ARG95O1123[O], 2[N], 6[C],
ARG95N23210[C], 5[N], 1[P], 7[O],
ARG95C1424[O], 3[N], 7[C],
ARG95CD2925[N], 3[P], 10[O], 11[C],
GLY96CA222[O],
GLY96N1226[C], 3[O], 3[N],
GLY96C221[O], 1[N],
ILE97CA321[C], 2[N],
ILE97N622[C], 2[N], 2[O],
ILE97CD11124[N], 2[O], 5[C],
ILE97CG1924[C], 4[N], 1[O],
ILE97C121[N],
ILE97CB423[N], 1[C],
ILE97CG2423[N], 1[C],
GLY98C321[O], 2[N],
GLY98CA121[O],
GLY98O723[C], 3[N], 1[O],
GLY98N321[O], 2[N],
LEU99CB121[O],
LEU99N121[O],
LEU99CD1121[O],
LEU99O121[O],
LEU99CA121[O],
ASN101O621[O], 3[N], 2[C],
ASN101CB221[C], 1[N],
ASN101C523[N], 2[C],
ASN101CA221[C], 1[N],
LYS102O1125[C], 5[N], 1[O],
LYS102CE1829[C], 4[O], 5[N],
LYS102CB1628[C], 5[N], 3[O],
LYS102CG1829[C], 5[N], 4[O],
LYS102N923[N], 2[O], 4[C],
LYS102CA1422[O], 5[N], 7[C],
LYS102NZ1724[O], 4[N], 9[C],
LYS102C1024[C], 1[O], 5[N],
LYS102CD19210[C], 5[N], 4[O],
ILE103N723[N], 1[O], 3[C],
ALA105CA723[C], 3[N], 1[O],
ALA105C623[C], 1[O], 2[N],
ALA105O521[O], 2[N], 2[C],
ALA105CB924[C], 4[N], 1[O],
ALA105N521[O], 2[N], 2[C],
TYR106CG1121[O], 5[N], 5[C],
TYR106CD11121[O], 5[N], 5[C],
TYR106CE21427[C], 5[N], 2[O],
TYR106CE11226[C], 1[O], 5[N],
TYR106CA523[C], 1[O], 1[N],
TYR106CD21125[C], 5[N], 1[O],
TYR106CB421[N], 1[O], 2[C],
TYR106CZ1425[N], 2[O], 7[C],
TYR106C121[O],
TYR106N623[C], 1[O], 2[N],
TYR106O121[O],
GLN109N121[O],
GLN109CD924[C], 1[O], 4[N],
GLN109CB321[C], 1[N], 1[O],
GLN109OE11021[O], 4[N], 5[C],
GLN109CA121[O],
GLN109CG623[C], 2[N], 1[O],
GLN109NE21125[C], 5[N], 1[O],
HIS113O121[O],
ASP114CB121[O],
ASP114CA121[O],
ASP114C522[C], 2[N], 1[O],
ASP114O521[O], 2[N], 2[C],
ASP114OD1121[O],
THR115C823[N], 1[O], 4[C],
THR115N621[O], 2[N], 3[C],
THR115CA924[C], 4[N], 1[O],
THR115OG11426[C], 3[O], 5[N],
THR115CB1125[N], 1[O], 5[C],
THR115CG21426[C], 5[N], 3[O],
THR115O821[O], 3[N], 4[C],
VAL116CA322[N], 1[C],
VAL116O121[N],
VAL116N522[C], 1[O], 2[N],
VAL116C121[N],
ALA118O321[C], 2[N],
ALA118CB522[N], 1[O], 2[C],
ALA118C321[C], 2[N],
ALA118CA321[C], 2[N],
ALA118N222[N],
ASN119CA322[N], 1[C],
ASN119OD1824[C], 3[N], 1[O],
ASN119CB421[C], 3[N],
ASN119C121[N],
ASN119CG821[O], 3[N], 4[C],
ASN119ND2921[O], 4[N], 4[C],
ASN119N321[C], 2[N],
LEU122CG121[N],
LEU122CD1321[C], 2[N],
LEU124CG121[N],
LEU124CB121[N],
LEU124CD1221[N], 1[C],
PRO125C121[N],
PRO125O221[N], 1[C],
ALA126C322[N], 1[C],
ALA126CA121[N],
ALA126O722[O], 3[N], 2[C],
ASP127OD21823[N], 2[P], 8[O], 5[C],
ASP127CB221[O], 1[P],
ASP127OD11424[C], 2[P], 8[O],
ASP127CA221[O], 1[N],
ASP127N121[N],
ASP127CG1321[P], 8[O], 1[N], 3[C],
ARG129CG1225[C], 6[O], 1[P],
ARG129CB524[O], 1[C],
ARG129CZ2925[P], 16[O], 2[N], 6[C],
ARG129CD20211[O], 3[P], 6[C],
ARG129NE2426[C], 3[P], 13[O], 2[N],
TYR131CE1822[P], 6[O],
TYR131CD2222[O],
TYR131CG222[O],
TYR131CE2722[P], 5[O],
TYR131CZ1321[C], 9[O], 3[P],
TYR131CD1222[O],
LEU148O222[O],
LEU148C222[O],
LEU148CD1222[O],
LEU148CG222[O],
LEU148CD2421[P], 3[O],
ILE149C1028[O], 2[P],
ILE149CG2521[P], 4[O],
ILE149CB421[P], 3[O],
ILE149N222[O],
ILE149CA524[O], 1[P],
ILE149O1524[P], 11[O],
THR150C1323[P], 10[O],
THR150CA15211[O], 4[P],
THR150CB17213[O], 4[P],
THR150CG21323[P], 10[O],
THR150N1022[P], 8[O],
THR150O922[P], 7[O],
THR150OG11824[P], 13[O], 1[C],
ASN151CG1027[O], 3[P],
ASN151ND21229[O], 3[P],
ASN151CA14211[O], 3[P],
ASN151N16212[O], 4[P],
ASN151C1423[P], 11[O],
ASN151OD1922[P], 7[O],
ASN151O1223[P], 9[O],
ASN151CB14211[O], 3[P],
ASN152CB2121[C], 5[P], 15[O],
ASN152OD113210[O], 3[P],
ASN152CA14211[O], 3[P],
ASN152O1223[P], 9[O],
ASN152ND22021[C], 5[P], 14[O],
ASN152C1423[P], 11[O],
ASN152CG1921[C], 13[O], 5[P],
ASN152N1524[P], 11[O],
PRO153C121[O],
PRO153CD625[O], 1[P],
PRO153CA121[O],
PRO153N926[O], 3[P],
LEU154CD1121[O],
LEU154CB222[O],
LEU154CG121[O],
LEU154CA222[O],
LEU154C222[O],
LEU154N222[O],
LYS155CB1821[C], 4[P], 13[O],
LYS155O121[O],
LYS155CG2021[C], 14[O], 5[P],
LYS155C621[P], 5[O],
LYS155NZ24216[O], 5[P], 3[C],
LYS155CE23216[O], 5[P], 2[C],
LYS155CA1027[O], 3[P],
LYS155N826[O], 2[P],
LYS155CD22216[O], 5[P], 1[C],
ILE156CG1121[O],
ILE156N424[O],
ILE156CD1222[O],
LEU159CD1323[O],
LEU159CD2121[O],
ARG169CZ121[O],
ARG169NE121[O],
VAL170O421[P], 3[O],
PRO171CA121[O],
PRO171C121[O],
LEU172C322[O], 1[P],
LEU172CB1022[P], 8[O],
LEU172CD1625[O], 1[P],
LEU172CA521[P], 4[O],
LEU172CD21624[P], 12[O],
LEU172N521[P], 4[O],
LEU172O524[O], 1[P],
LEU172CG922[P], 7[O],
THR173N121[O],
VAL174CG2222[O],
VAL174CG1121[O],
Total = 322



Download csv file of statistical distribution of contacts