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 :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ATP_F_6(2FGK) / Model_43(2FGK/B) = [7.2] Download1248.3213.16MLMKIYKKLFAYVQDKKYLGVLAIIFSAISALLTVYGYYLIYKFLDKLIINSNLSGAESIALKSVITLTSGAIFYFVSGMFSHILGFRLETNLRKRGIDGLEKASFRFFDLNPSGQIRKIIDDNAAQTHQVVAHMIPDSSQAIITPVLVLALGFIVSIRVGIILLALTIIGGLILGAMMGEQEFMKIYQESLSKLSAETVEYVRGMQVVKIFKANVESFKSFYKAIKDYSKYAYDYSLSCKRPYVLYQWLFFGLIAILIIPIVYFMTSLASAKVILLELIMILFLSGVLFVSFMRMMWYSMYISQGNYAVDTLEALYEDMQKDKLVHGNINNFKNYNIEFENVSFAYNDKAVIENLSFNLEEGKSYALVGSSGSGKSTVAKLISGFYNVNKGSIKIGGIAISEYSDEALIKAISFVFQDSKLFKKSIYDNVALANKDATKDDVMRALKLAGCDLILDKFPERENTIIGSKGVYLSGGEKQRIAIARAILKDSKIIIMDEASASIDPDNEFELQKAFKNLMKDKTVIMIAHRLSTIKDLDEIIVMDSGKIIERGSDKELMSKDIRYKSLQEMFNSANEWRVSNERVL
Complex: 128_A_2(2PMK) / Model_37(2PMK/A) = [7.1] Download1484.8313.06MLMKIYKKLFAYVQDKKYLGVLAIIFSAISALLTVYGYYLIYKFLDKLIINSNLSGAESIALKSVITLTSGAIFYFVSGMFSHILGFRLETNLRKRGIDGLEKASFRFFDLNPSGQIRKIIDDNAAQTHQVVAHMIPDSSQAIITPVLVLALGFIVSIRVGIILLALTIIGGLILGAMMGEQEFMKIYQESLSKLSAETVEYVRGMQVVKIFKANVESFKSFYKAIKDYSKYAYDYSLSCKRPYVLYQWLFFGLIAILIIPIVYFMTSLASAKVILLELIMILFLSGVLFVSFMRMMWYSMYISQGNYAVDTLEALYEDMQKDKLVHGNINNFKNYNIEFENVSFAYNDKAVIENLSFNLEEGKSYALVGSSGSGKSTVAKLISGFYNVNKGSIKIGGIAISEYSDEALIKAISFVFQDSKLFKKSIYDNVALANKDATKDDVMRALKLAGCDLILDKFPERENTIIGSKGVYLSGGEKQRIAIARAILKDSKIIIMDEASASIDPDNEFELQKAFKNLMKDKTVIMIAHRLSTIKDLDEIIVMDSGKIIERGSDKELMSKDIRYKSLQEMFNSANEWRVSNERVL
Complex: ANP_A_3(4PL0) / Model_71(4PL0/A) = [6.5] Download871.2215.44MLMKIYKKLFAYVQDKKYLGVLAIIFSAISALLTVYGYYLIYKFLDKLIINSNLSGAESIALKSVITLTSGAIFYFVSGMFSHILGFRLETNLRKRGIDGLEKASFRFFDLNPSGQIRKIIDDNAAQTHQVVAHMIPDSSQAIITPVLVLALGFIVSIRVGIILLALTIIGGLILGAMMGEQEFMKIYQESLSKLSAETVEYVRGMQVVKIFKANVESFKSFYKAIKDYSKYAYDYSLSCKRPYVLYQWLFFGLIAILIIPIVYFMTSLASAKVILLELIMILFLSGVLFVSFMRMMWYSMYISQGNYAVDTLEALYEDMQKDKLVHGNINNFKNYNIEFENVSFAYNDKAVIENLSFNLEEGKSYALVGSSGSGKSTVAKLISGFYNVNKGSIKIGGIAISEYSDEALIKAISFVFQDSKLFKKSIYDNVALANKDATKDDVMRALKLAGCDLILDKFPERENTIIGSKGVYLSGGEKQRIAIARAILKDSKIIIMDEASASIDPDNEFELQKAFKNLMKDKTVIMIAHRLSTIKDLDEIIVMDSGKIIERGSDKELMSKDIRYKSLQEMFNSANEWRVSNERVL
Complex: AGS_A_3(4S0F) / Model_47(4S0F/A) = [4.1] Download934.2911.17MLMKIYKKLFAYVQDKKYLGVLAIIFSAISALLTVYGYYLIYKFLDKLIINSNLSGAESIALKSVITLTSGAIFYFVSGMFSHILGFRLETNLRKRGIDGLEKASFRFFDLNPSGQIRKIIDDNAAQTHQVVAHMIPDSSQAIITPVLVLALGFIVSIRVGIILLALTIIGGLILGAMMGEQEFMKIYQESLSKLSAETVEYVRGMQVVKIFKANVESFKSFYKAIKDYSKYAYDYSLSCKRPYVLYQWLFFGLIAILIIPIVYFMTSLASAKVILLELIMILFLSGVLFVSFMRMMWYSMYISQGNYAVDTLEALYEDMQKDKLVHGNINNFKNYNIEFENVSFAYNDKAVIENLSFNLEEGKSYALVGSSGSGKSTVAKLISGFYNVNKGSIKIGGIAISEYSDEALIKAISFVFQDSKLFKKSIYDNVALANKDATKDDVMRALKLAGCDLILDKFPERENTIIGSKGVYLSGGEKQRIAIARAILKDSKIIIMDEASASIDPDNEFELQKAFKNLMKDKTVIMIAHRLSTIKDLDEIIVMDSGKIIERGSDKELMSKDIRYKSLQEMFNSANEWRVSNERVL
Consensus
[pKd Mean = 6.22]		-1134
(s=247)		13
(s=1)		MLMKIYKKLFAYVQDKKYLGVLAIIFSAISALLTVYGYYLIYKFLDKLIINSNLSGAESIALKSVITLTSGAIFYFVSGMFSHILGFRLETNLRKRGIDGLEKASFRFFDLNPSGQIRKIIDDNAAQTHQVVAHMIPDSSQAIITPVLVLALGFIVSIRVGIILLALTIIGGLILGAMMGEQEFMKIYQESLSKLSAETVEYVRGMQVVKIFKANVESFKSFYKAIKDYSKYAYDYSLSCKRPYVLYQWLFFGLIAILIIPIVYFMTSLASAKVILLELIMILFLSGVLFVSFMRMMWYSMYISQGNYAVDTLEALYEDMQKDKLVHGNINNFKNYNIEFENVSFAYNDKAVIENLSFNLEEGKSYALVGSSGSGKSTVAKLISGFYNVNKGSIKIGGIAISEYSDEALIKAISFVFQDSKLFKKSIYDNVALANKDATKDDVMRALKLAGCDLILDKFPERENTIIGSKGVYLSGGEKQRIAIARAILKDSKIIIMDEASASIDPDNEFELQKAFKNLMKDKTVIMIAHRLSTIKDLDEIIVMDSGKIIERGSDKELMSKDIRYKSLQEMFNSANEWRVSNERVL



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]
PHE345CE245424[C], 18[N], 3[O],
PHE345CD21443[O], 6[C], 5[N],
PHE345CZ25412[N], 13[C],
TYR347CD174421[N], 1[P], 39[C], 13[O],
TYR347CG77417[O], 39[C], 21[N],
TYR347CD27842[P], 38[C], 20[N], 18[O],
TYR347CE28543[P], 40[C], 20[N], 22[O],
TYR347CZ89425[O], 21[N], 40[C], 3[P],
TYR347CE183419[O], 40[C], 3[P], 21[N],
ASN348CG542[C], 3[N],
ASN348ND2543[N], 2[C],
ASN348OD1543[N], 2[C],
ASP349OD1642[C], 3[N], 1[O],
ASP349OD21345[N], 6[C], 2[O],
ASP349CG1145[N], 4[C], 2[O],
LYS350NZ1546[O], 2[N], 7[C],
LYS350CG1144[C], 2[N], 5[O],
LYS350CD1949[C], 2[N], 8[O],
LYS350CE1345[O], 6[C], 2[N],
VAL352CG284442[C], 3[P], 18[N], 21[O],
VAL352CG187429[O], 38[C], 6[P], 14[N],
ILE353CG1944[C], 5[O],
ILE353CD1544[O], 1[C],
LEU356CD1141[O],
LEU368CG645[O], 1[P],
LEU368CD21042[P], 8[O],
LEU368CD1242[O],
SER371OG1248[O], 1[N], 3[P],
SER372OG55434[O], 8[C], 1[S], 10[P], 2[N],
SER374OG4445[C], 9[P], 1[N], 29[O],
LYS376CG53434[O], 1[S], 6[C], 11[P], 1[N],
LYS376NZ46432[O], 3[C], 10[P], 1[N],
LYS376CE4241[N], 1[C], 10[P], 30[O],
LYS376CD40428[O], 1[N], 11[P],
SER377OG8448[N], 1[S], 23[C], 11[P], 41[O],
THR378OG1100420[N], 6[P], 40[C], 34[O],
THR378CG261419[O], 10[N], 29[C], 3[P],
VAL379CG2646[O],
LYS381CG3043[P], 10[C], 7[N], 10[O],
LYS381CE68428[C], 5[P], 15[N], 20[O],
LYS381NZ84419[N], 7[P], 36[C], 22[O],
LYS381CD56423[C], 3[P], 14[N], 16[O],
TYR387CE132414[N], 17[C], 1[O],
TYR387CD219410[N], 9[C],
TYR387CE232416[N], 16[C],
TYR387CD122411[C], 11[N],
TYR387CZ37420[C], 17[N],
TYR387CG1447[N], 7[C],
PHE417CD2141[O],
GLN418NE223416[O], 1[S], 5[P], 1[N],
GLN418OE13341[N], 1[S], 8[P], 23[O],
GLN418CD2746[P], 1[S], 1[N], 19[O],
GLN418CG2341[N], 7[P], 1[S], 14[O],
ASP498OD123415[O], 1[N], 6[P], 1[S],
ASP498OD226416[O], 1[N], 1[S], 8[P],
ASP498CG2141[N], 1[S], 6[P], 13[O],
GLU499OE13247[P], 1[S], 1[N], 23[O],
GLU499CG2541[S], 5[P], 1[N], 18[O],
GLU499CD31422[O], 7[P], 1[S], 1[N],
GLU499OE234424[O], 1[S], 8[P], 1[N],
SER503OG241[O], 1[S],
ILE528CD133423[O], 1[S], 9[P],
ILE528CG12146[P], 1[S], 14[O],
ILE528CG23441[N], 8[P], 1[S], 24[O],
HIS530CG23416[O], 1[S], 5[P], 1[N],
HIS530NE23441[N], 3[C], 1[S], 7[P], 22[O],
HIS530ND128419[O], 1[N], 1[S], 7[P],
HIS530CE13141[S], 1[C], 7[P], 1[N], 21[O],
HIS530CD22947[P], 1[S], 1[N], 20[O],
MET544CE1249[O], 1[C], 2[P],
MET544SD1249[O], 3[P],
MET544CG444[O],
Total = 72



Download csv file of statistical distribution of contacts