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 :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: ACP_B_8(4ZDK) / Model_31(4ZDK/B) = [5.9] Download1580.688.56MTHFIFVTGGVVSSLGKGISAASVAALLEARGLKVTMVKMDPYINVDPGTMSPFQHGEVFVTEDGAETDLDLGYYERFLRRAKMTKLNNFTSGRVYQDVLNKERRGDYLGGTVQVIPHITDNIKERVLRAGEGYDVAIVEIGGTVGDIESLPFMESVRQLMVELGHKRTMLMHLTLLPYIKSAAELKTKPTQHSVKELLSIGIQPDILICRTEYDVDADTKRKIALFTNVEARAVVVCKDAKTIYQIPRGFYEQNVDDLICERFGFTDLPEADLTDWDNVVEALLNPEYTVRVAMVGKYVELPDAYKSVNEALLHAGIKNRVKVQIDYVNAEELESQDVSILKTADAILVPGGFGERGTEGKMKAIQYARENGIPFLGICLGMQLAVIEYARHVAGMPEASSTEFNRSTKYPLIGLITEWLDERGELQQRSLESDLGGTMRLGAQKSELVEGTKTREVYGKAEITERHRHRYEMNNRFIEAIEQAGMKISGYSSAQHLVETVEIPEHPWFIAVQFHPEFTSSPRDGHPLFASFIDAAKTQHQKSK
Complex: UTP_A_3(4ZDJ) / Model_39(4ZDJ/A) = [4.9] Download1316.809.83MTHFIFVTGGVVSSLGKGISAASVAALLEARGLKVTMVKMDPYINVDPGTMSPFQHGEVFVTEDGAETDLDLGYYERFLRRAKMTKLNNFTSGRVYQDVLNKERRGDYLGGTVQVIPHITDNIKERVLRAGEGYDVAIVEIGGTVGDIESLPFMESVRQLMVELGHKRTMLMHLTLLPYIKSAAELKTKPTQHSVKELLSIGIQPDILICRTEYDVDADTKRKIALFTNVEARAVVVCKDAKTIYQIPRGFYEQNVDDLICERFGFTDLPEADLTDWDNVVEALLNPEYTVRVAMVGKYVELPDAYKSVNEALLHAGIKNRVKVQIDYVNAEELESQDVSILKTADAILVPGGFGERGTEGKMKAIQYARENGIPFLGICLGMQLAVIEYARHVAGMPEASSTEFNRSTKYPLIGLITEWLDERGELQQRSLESDLGGTMRLGAQKSELVEGTKTREVYGKAEITERHRHRYEMNNRFIEAIEQAGMKISGYSSAQHLVETVEIPEHPWFIAVQFHPEFTSSPRDGHPLFASFIDAAKTQHQKSK
Complex: ADP_B_6(2AD5) / Model_21(2AD5/B) = [4.8] Download1148.774.04MTHFIFVTGGVVSSLGKGISAASVAALLEARGLKVTMVKMDPYINVDPGTMSPFQHGEVFVTEDGAETDLDLGYYERFLRRAKMTKLNNFTSGRVYQDVLNKERRGDYLGGTVQVIPHITDNIKERVLRAGEGYDVAIVEIGGTVGDIESLPFMESVRQLMVELGHKRTMLMHLTLLPYIKSAAELKTKPTQHSVKELLSIGIQPDILICRTEYDVDADTKRKIALFTNVEARAVVVCKDAKTIYQIPRGFYEQNVDDLICERFGFTDLPEADLTDWDNVVEALLNPEYTVRVAMVGKYVELPDAYKSVNEALLHAGIKNRVKVQIDYVNAEELESQDVSILKTADAILVPGGFGERGTEGKMKAIQYARENGIPFLGICLGMQLAVIEYARHVAGMPEASSTEFNRSTKYPLIGLITEWLDERGELQQRSLESDLGGTMRLGAQKSELVEGTKTREVYGKAEITERHRHRYEMNNRFIEAIEQAGMKISGYSSAQHLVETVEIPEHPWFIAVQFHPEFTSSPRDGHPLFASFIDAAKTQHQKSK
Consensus
[pKd Mean = 5.20]		-1348
(s=177)		7
(s=2)		MTHFIFVTGGVVSSLGKGISAASVAALLEARGLKVTMVKMDPYINVDPGTMSPFQHGEVFVTEDGAETDLDLGYYERFLRRAKMTKLNNFTSGRVYQDVLNKERRGDYLGGTVQVIPHITDNIKERVLRAGEGYDVAIVEIGGTVGDIESLPFMESVRQLMVELGHKRTMLMHLTLLPYIKSAAELKTKPTQHSVKELLSIGIQPDILICRTEYDVDADTKRKIALFTNVEARAVVVCKDAKTIYQIPRGFYEQNVDDLICERFGFTDLPEADLTDWDNVVEALLNPEYTVRVAMVGKYVELPDAYKSVNEALLHAGIKNRVKVQIDYVNAEELESQDVSILKTADAILVPGGFGERGTEGKMKAIQYARENGIPFLGICLGMQLAVIEYARHVAGMPEASSTEFNRSTKYPLIGLITEWLDERGELQQRSLESDLGGTMRLGAQKSELVEGTKTREVYGKAEITERHRHRYEMNNRFIEAIEQAGMKISGYSSAQHLVETVEIPEHPWFIAVQFHPEFTSSPRDGHPLFASFIDAAKTQHQKSK



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]
VAL7O131[O],
VAL7CG1232[O],
THR8O232[O],
THR8C232[O],
GLY9CA631[P], 5[O],
GLY9C232[O],
GLY9N232[O],
GLY10O131[O],
GLY10N131[O],
VAL12CG2232[O],
VAL12C832[P], 6[O],
VAL12O1138[O], 3[P],
VAL12CG1131[O],
VAL12CA232[O],
SER13O2333[C], 16[O], 4[P],
SER13OG1831[C], 12[O], 5[P],
SER13CA2432[C], 17[O], 5[P],
SER13C2933[C], 19[O], 7[P],
SER13N1333[P], 9[O], 1[C],
SER13CB2231[C], 5[P], 16[O],
SER14C64322[C], 8[P], 29[O], 5[N],
SER14CA5332[N], 13[C], 8[P], 30[O],
SER14O6937[N], 7[P], 29[O], 26[C],
SER14OG42326[O], 8[P], 8[C],
SER14CB5131[N], 30[O], 8[P], 12[C],
SER14N4236[C], 28[O], 8[P],
LEU15CB43310[C], 23[O], 7[P], 3[N],
LEU15N6138[P], 28[O], 20[C], 5[N],
LEU15C76311[N], 29[C], 29[O], 7[P],
LEU15CA65324[C], 7[P], 27[O], 7[N],
LEU15CD21032[P], 8[O],
LEU15CD11037[O], 2[P], 1[C],
LEU15O78312[N], 29[C], 7[P], 30[O],
LEU15CG2031[N], 2[C], 13[O], 4[P],
GLY16C76328[C], 8[P], 30[O], 10[N],
GLY16O75329[O], 7[P], 29[C], 10[N],
GLY16CA85330[C], 35[O], 8[P], 12[N],
GLY16N81311[N], 29[C], 33[O], 8[P],
LYS17O3231[N], 21[O], 6[P], 4[C],
LYS17CG29320[O], 7[P], 2[C],
LYS17N66322[C], 29[O], 8[P], 7[N],
LYS17CD2831[C], 20[O], 7[P],
LYS17C4432[N], 26[O], 8[P], 8[C],
LYS17CE2531[C], 6[P], 18[O],
LYS17NZ2231[C], 16[O], 5[P],
LYS17CB3638[P], 23[O], 4[C], 1[N],
LYS17CA47327[O], 8[P], 9[C], 3[N],
GLY18N5238[P], 27[O], 14[C], 3[N],
GLY18CA4331[N], 9[C], 8[P], 25[O],
GLY18O25316[O], 5[P], 3[C], 1[N],
GLY18C47312[C], 25[O], 7[P], 3[N],
ILE19C43317[C], 15[O], 3[P], 8[N],
ILE19CD17636[P], 31[O], 28[C], 11[N],
ILE19O2536[N], 10[C], 6[O], 3[P],
ILE19CG178312[N], 29[C], 7[P], 30[O],
ILE19N68326[C], 7[P], 28[O], 7[N],
ILE19CA6936[P], 27[O], 27[C], 9[N],
ILE19CB77330[O], 6[P], 29[C], 12[N],
ILE19CG266312[N], 29[C], 3[P], 22[O],
SER20CB2236[N], 1[P], 6[O], 9[C],
SER20C832[N], 3[O], 3[C],
SER20N4838[N], 15[C], 20[O], 5[P],
SER20CA2139[C], 2[P], 4[O], 6[N],
SER20OG3739[N], 13[C], 3[P], 12[O],
SER20O332[C], 1[O],
ALA21CA232[O],
ALA21N731[N], 2[C], 4[O],
ALA21CB333[O],
ALA22N232[O],
ALA22CB232[O],
SER23N131[O],
SER23CB532[N], 2[C], 1[O],
SER23OG1331[O], 7[C], 5[N],
SER23CA131[O],
LYS39CB232[O],
LYS39NZ2231[C], 5[P], 16[O],
LYS39CD1133[P], 7[O], 1[C],
LYS39CE2034[P], 15[O], 1[C],
LYS39CA131[O],
LYS39CG631[P], 5[O],
MET40N131[O],
MET40O231[O], 1[P],
MET40C131[O],
ASP41CG433[O], 1[P],
ASP41N131[O],
ASP41C131[O],
ASP41CB433[O], 1[P],
ASP41OD1731[C], 5[O], 1[P],
ASP41OD2433[O], 1[P],
ASP41CA332[O], 1[P],
PRO42N131[O],
PRO42CD332[O], 1[P],
PRO42CG232[O],
TYR43CE2433[O], 1[P],
TYR43CZ131[O],
TYR43CD2331[P], 2[O],
HIS56O332[O], 1[P],
HIS56CE1131[O],
HIS56ND1131[O],
ASP69OD1533[O], 1[P], 1[C],
ASP69OD21531[C], 4[P], 10[O],
ASP69CG731[C], 1[P], 5[O],
ASP69CA131[O],
ASP69CB431[P], 3[O],
ASP69C131[O],
LEU70C232[O],
LEU70CA232[O],
LEU70N131[O],
LEU70CD21031[C], 1[P], 8[O],
LEU70CG1132[P], 8[O], 1[C],
LEU70CB232[O],
LEU70O232[O],
LEU70CD128316[O], 6[P], 6[C],
ASP71CG3238[P], 21[O], 3[C],
ASP71CA1333[P], 10[O],
ASP71OD23433[C], 8[P], 23[O],
ASP71CB2131[C], 5[P], 15[O],
ASP71N1032[P], 8[O],
ASP71OD141325[O], 8[P], 8[C],
ASP71O333[O],
ASP71C232[O],
TYR74CE12432[N], 7[C], 12[O], 3[P],
TYR74CB1132[P], 8[O], 1[C],
TYR74CZ3232[N], 9[C], 17[O], 4[P],
TYR74CE23836[P], 22[O], 9[C], 1[N],
TYR74CG1833[P], 11[O], 4[C],
TYR74CA131[O],
TYR74CD11939[O], 3[P], 7[C],
TYR74CD23231[N], 7[C], 6[P], 18[O],
TYR75CE1535[O],
TYR75CZ232[O],
GLU140CD28321[O], 6[P], 1[C],
GLU140CG1931[C], 4[P], 14[O],
GLU140OE12931[C], 22[O], 6[P],
GLU140C232[O],
GLU140CA232[O],
GLU140CB534[O], 1[P],
GLU140O232[O],
GLU140OE23231[C], 8[P], 23[O],
ILE141C531[P], 4[O],
ILE141N232[O],
ILE141CA131[O],
ILE141O1134[P], 7[O],
GLY142N631[P], 5[O],
GLY142O131[O],
GLY142CA1534[P], 10[O], 1[C],
GLY142C1131[C], 8[O], 2[P],
GLY143N1631[C], 11[O], 4[P],
GLY143CA832[P], 5[O], 1[C],
GLY143C836[O], 2[P],
GLY143O15310[O], 4[P], 1[C],
THR144CB131[O],
THR144N131[O],
THR144OG1531[P], 4[O],
LEU174O131[O],
LEU174C131[O],
LEU174CD23233[N], 17[O], 6[P], 6[C],
LEU174CG1032[C], 7[O], 1[P],
LEU174CA131[O],
LEU174CB534[O], 1[P],
LEU174CD11033[N], 3[C], 4[O],
ILE209CG1131[O],
ILE209CA131[O],
ILE209CD1131[O],
ILE209CB231[O], 1[C],
ILE209CG2532[N], 1[O], 2[C],
CYS210C131[O],
CYS210O131[O],
ARG211CB1939[C], 3[O], 7[N],
ARG211CG24313[C], 4[O], 7[N],
ARG211CZ4438[O], 24[C], 12[N],
ARG211CA1033[N], 2[O], 5[C],
ARG211C533[N], 1[O], 1[C],
ARG211CD39312[N], 10[O], 17[C],
ARG211N231[C], 1[O],
ARG211NE53323[C], 17[O], 1[P], 12[N],
THR212C331[O], 2[N],
THR212O1436[N], 1[O], 7[C],
THR212N832[O], 3[C], 3[N],
GLU213O131[N],
VAL237O131[N],
CYS238N531[O], 1[C], 3[N],
CYS238CB1632[O], 7[C], 7[N],
CYS238C1737[N], 2[O], 8[C],
CYS238O2439[N], 13[C], 2[O],
CYS238CA1332[O], 6[C], 5[N],
CYS238SG26315[C], 2[O], 9[N],
LYS239CB831[O], 2[C], 5[N],
LYS239CA1637[N], 2[O], 7[C],
LYS239CD332[N], 1[C],
LYS239CE131[N],
LYS239C2632[O], 14[C], 10[N],
LYS239N1436[N], 6[C], 2[O],
LYS239O28315[C], 2[O], 11[N],
LYS239CG933[C], 1[O], 5[N],
ASP240OD139312[N], 6[O], 21[C],
ASP240N30315[C], 4[O], 11[N],
ASP240CG36319[C], 5[O], 12[N],
ASP240C32312[N], 16[C], 4[O],
ASP240CA34318[C], 4[O], 12[N],
ASP240O2338[N], 3[O], 12[C],
ASP240CB33312[N], 17[C], 4[O],
ASP240OD226310[N], 13[C], 3[O],
ALA241CB31311[N], 4[O], 16[C],
ALA241C30312[N], 4[O], 14[C],
ALA241N35318[C], 5[O], 12[N],
ALA241O39321[C], 6[O], 12[N],
ALA241CA31312[N], 15[C], 4[O],
LYS242N2138[N], 2[O], 11[C],
LYS242CA1234[N], 6[C], 2[O],
LYS242O1334[N], 5[C], 4[O],
LYS242C1633[O], 9[C], 4[N],
LYS242CB231[N], 1[C],
THR243CA20311[C], 4[O], 5[N],
THR243CB231[C], 1[O],
THR243N2137[N], 3[O], 11[C],
THR243C28310[N], 4[O], 14[C],
THR243O29315[C], 4[O], 10[N],
ILE244N40312[N], 22[C], 6[O],
ILE244CG257328[C], 16[O], 1[P], 12[N],
ILE244CA44312[N], 9[O], 23[C],
ILE244CB49311[O], 1[P], 25[C], 12[N],
ILE244CD121313[C], 4[O], 4[N],
ILE244O3034[O], 16[C], 10[N],
ILE244C32311[N], 4[O], 17[C],
ILE244CG12938[N], 16[C], 5[O],
TYR245N131[C],
GLN246CA131[N],
GLN246OE1331[O], 2[N],
GLN246O331[O], 2[N],
GLN246C934[N], 3[C], 2[O],
GLN246CB332[N], 1[O],
GLN246N131[N],
ILE247CA1939[C], 2[O], 8[N],
ILE247CD151312[N], 1[P], 13[O], 25[C],
ILE247CB29317[C], 2[O], 10[N],
ILE247CG138312[N], 20[C], 6[O],
ILE247O633[N], 1[O], 2[C],
ILE247C933[N], 4[C], 2[O],
ILE247CG227310[N], 2[O], 15[C],
ILE247N1737[N], 8[C], 2[O],
PRO248N432[N], 1[O], 1[C],
GLY250CA131[O],
GLY250C131[O],
PHE251CA131[O],
PHE251CG432[N], 1[O], 1[C],
PHE251CD2532[C], 1[O], 2[N],
PHE251CZ1335[N], 2[O], 6[C],
PHE251CE11035[C], 1[O], 4[N],
PHE251CB131[O],
PHE251CD1532[N], 1[O], 2[C],
PHE251CE2933[N], 1[O], 5[C],
PHE251N131[O],
LEU302CD2232[O],
ASP304N232[O],
ASP304CA232[O],
ASP304CB733[O], 4[C],
ASP304CG19310[O], 1[P], 8[C],
ASP304OD123310[C], 1[P], 12[O],
ASP304OD23534[P], 19[O], 12[C],
LYS307CB131[O],
LYS307NZ27312[O], 1[P], 12[C], 2[N],
LYS307CA131[O],
LYS307CE2331[P], 11[O], 10[C], 1[N],
LYS307CD1537[C], 8[O],
LYS307CG733[C], 4[O],
GLU311CD232[O],
GLU311OE2533[O], 2[C],
Total = 268



Download csv file of statistical distribution of contacts