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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ATP_B_8(2ZDQ) / Model_26(2ZDQ/B) = [8.1] Download880.4413.57MKITLLYGGRSAEHEVSILSAFSVLNAIYYNYYQVQLVFITKEGQWVKGPLLTEKPASKDVLHLSWDPSGQTEEGFTGKVINPGEIKEEGAIVFPVLHGPNGEDGTIQGFLETLNMPYVGAGVLTSACAMDKIMTKYILQAAGVPQVPYVPVLKNQWKENPKKVFDQCEGSLLYPMFVKPANMGSSVGITKAENREELQNALATAYQYDSRAIVEQGIEAREIEVAVLGNEDVRTTLPGEVVKDVAFYDYEAKYINNKIEMQIPAEVPEEVYQKAQEYAKLAYTMLGGSGLSRCDFFLTNKNELFLNELNSMPGFTEFSMYPLLWENMGLKYGDLIEELIQLGMNRYHQRQSFFEKNE
Complex: ADP_C_9(2ZDG) / Model_100(2ZDG/C) = [7.4] Download646.0410.37MKITLLYGGRSAEHEVSILSAFSVLNAIYYNYYQVQLVFITKEGQWVKGPLLTEKPASKDVLHLSWDPSGQTEEGFTGKVINPGEIKEEGAIVFPVLHGPNGEDGTIQGFLETLNMPYVGAGVLTSACAMDKIMTKYILQAAGVPQVPYVPVLKNQWKENPKKVFDQCEGSLLYPMFVKPANMGSSVGITKAENREELQNALATAYQYDSRAIVEQGIEAREIEVAVLGNEDVRTTLPGEVVKDVAFYDYEAKYINNKIEMQIPAEVPEEVYQKAQEYAKLAYTMLGGSGLSRCDFFLTNKNELFLNELNSMPGFTEFSMYPLLWENMGLKYGDLIEELIQLGMNRYHQRQSFFEKNE
Complex: ANP_A_4(2YZN) / Model_13(2YZN/A) = [5.2] Download1588.3518.07MKITLLYGGRSAEHEVSILSAFSVLNAIYYNYYQVQLVFITKEGQWVKGPLLTEKPASKDVLHLSWDPSGQTEEGFTGKVINPGEIKEEGAIVFPVLHGPNGEDGTIQGFLETLNMPYVGAGVLTSACAMDKIMTKYILQAAGVPQVPYVPVLKNQWKENPKKVFDQCEGSLLYPMFVKPANMGSSVGITKAENREELQNALATAYQYDSRAIVEQGIEAREIEVAVLGNEDVRTTLPGEVVKDVAFYDYEAKYINNKIEMQIPAEVPEEVYQKAQEYAKLAYTMLGGSGLSRCDFFLTNKNELFLNELNSMPGFTEFSMYPLLWENMGLKYGDLIEELIQLGMNRYHQRQSFFEKNE
Consensus
[pKd Mean = 6.90]		-1038
(s=400)		14
(s=3)		MKITLLYGGRSAEHEVSILSAFSVLNAIYYNYYQVQLVFITKEGQWVKGPLLTEKPASKDVLHLSWDPSGQTEEGFTGKVINPGEIKEEGAIVFPVLHGPNGEDGTIQGFLETLNMPYVGAGVLTSACAMDKIMTKYILQAAGVPQVPYVPVLKNQWKENPKKVFDQCEGSLLYPMFVKPANMGSSVGITKAENREELQNALATAYQYDSRAIVEQGIEAREIEVAVLGNEDVRTTLPGEVVKDVAFYDYEAKYINNKIEMQIPAEVPEEVYQKAQEYAKLAYTMLGGSGLSRCDFFLTNKNELFLNELNSMPGFTEFSMYPLLWENMGLKYGDLIEELIQLGMNRYHQRQSFFEKNE



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]
GLU13CD1433[P], 11[O],
GLU13CG531[P], 4[O],
GLU13OE11138[O], 3[P],
GLU13OE214311[O], 3[P],
VAL16CG1131[O],
GLU103OE2332[O], 1[P],
GLU103CD131[O],
GLU103OE1231[O], 1[P],
MET130CE731[P], 6[O],
MET130CG131[O],
MET130SD434[O],
LYS132CG3031[N], 7[P], 22[O],
LYS132CD3633[C], 24[O], 7[P], 2[N],
LYS132NZ46326[O], 8[P], 3[N], 9[C],
LYS132CE4638[C], 8[P], 26[O], 4[N],
LYS136NZ1533[O], 1[P], 6[N], 5[C],
LYS136CE936[N], 3[O],
VAL147CG228313[N], 15[C],
VAL147CG127312[N], 15[C],
PRO148CD333[N],
PRO148CG131[N],
PHE165CE1733[N], 4[C],
PHE165CD1733[N], 4[C],
PHE165CZ633[N], 3[C],
PHE165CE2231[C], 1[N],
PHE165CG231[N], 1[C],
GLN167CD4031[P], 9[O], 10[N], 20[C],
GLN167CG4132[P], 9[O], 10[N], 20[C],
GLN167NE23436[O], 10[N], 18[C],
GLN167OE142310[O], 2[P], 10[N], 20[C],
PHE177CZ19310[C], 4[O], 5[N],
PHE177CE118310[C], 3[O], 5[N],
PHE177CG20310[C], 5[N], 4[O], 1[P],
PHE177CD222310[C], 5[N], 6[O], 1[P],
PHE177CD118310[C], 3[O], 5[N],
PHE177CE22235[N], 1[P], 6[O], 10[C],
LYS179CG63322[C], 10[N], 7[P], 24[O],
LYS179CD70310[N], 7[P], 26[O], 27[C],
LYS179CE8337[P], 30[O], 16[N], 30[C],
LYS179NZ85330[C], 32[O], 7[P], 16[N],
PRO180CD1239[O], 2[P], 1[N],
PRO180CG832[P], 5[O], 1[N],
ASN182CG131[O],
ASN182ND2131[O],
MET183CE1238[O], 2[P], 2[C],
MET183SD1232[P], 8[O], 2[C],
MET183CG16312[O], 3[P], 1[C],
SER185OG1333[P], 10[O],
SER186OG5738[P], 32[O], 3[N], 14[C],
VAL187CG2631[P], 5[O],
VAL187CG1232[O],
ILE189CG265325[O], 7[P], 9[N], 24[C],
ILE189CD16837[N], 32[O], 8[P], 21[C],
ILE189CG151313[C], 5[N], 7[P], 26[O],
LYS191NZ432[C], 2[N],
LYS191CG1337[C], 1[O], 5[N],
LYS191CD1236[C], 6[N],
LYS191CE1035[N], 5[C],
ASP209OD2131[O],
ILE213CG2832[N], 5[O], 1[P],
GLU215OE245313[N], 4[P], 15[O], 13[C],
GLU215CD43316[C], 15[N], 3[P], 9[O],
GLU215OE157325[C], 3[P], 14[O], 15[N],
GLU215CG27312[C], 12[N], 3[O],
GLN216CD333[N],
GLN216OE1131[N],
GLN216CG936[N], 3[C],
ILE218CG221312[C], 9[N],
ILE218CG128313[C], 15[N],
ILE218CD125313[C], 12[N],
GLU219CG1136[N], 5[C],
GLU219OE1532[N], 3[C],
GLU219OE2332[N], 1[C],
GLU219CD532[N], 3[C],
GLU222OE160327[C], 10[N], 3[P], 20[O],
GLU222CD59311[N], 3[P], 16[O], 29[C],
GLU222OE259310[N], 3[P], 19[O], 27[C],
GLU222CG47325[C], 12[O], 10[N],
GLU224OE1433[O], 1[P],
GLU224CD736[O], 1[P],
GLU224CG434[O],
GLU224OE22134[C], 14[O], 3[P],
VAL241CG1636[O],
VAL241CG2232[O],
LYS243CE2339[O], 1[N], 13[C],
LYS243CD1337[C], 6[O],
LYS243NZ2639[O], 3[N], 14[C],
LYS243CG434[O],
VAL245CG1131[O],
VAL245CG2131[O],
PHE247CD139317[C], 6[N], 2[P], 14[O],
PHE247CE218311[C], 2[N], 5[O],
PHE247CD22537[O], 4[N], 14[C],
PHE247CZ22313[C], 7[O], 2[N],
PHE247CE13735[N], 3[P], 15[O], 14[C],
PHE247CG3236[N], 8[O], 18[C],
TYR248CD22332[P], 11[O], 10[C],
TYR248CZ1434[C], 1[P], 9[O],
TYR248CG29310[C], 2[N], 15[O], 2[P],
TYR248CD12731[N], 3[P], 13[O], 10[C],
TYR248CE12137[C], 11[O], 3[P],
TYR248CE21538[O], 7[C],
ASP249CG131[C],
TYR250CD2232[O],
LYS253NZ38310[C], 5[P], 23[O],
LYS253CD3135[P], 20[O], 6[C],
LYS253CE3835[P], 23[O], 10[C],
LYS253CG2236[C], 3[P], 13[O],
TYR254CZ531[P], 4[O],
TYR254CD1131[O],
TYR254CE2231[P], 1[O],
TYR254CE1331[P], 2[O],
TYR254CD2131[O],
ARG293CG131[O],
ARG293CZ932[P], 7[O],
ARG293CD231[O], 1[P],
ARG293NE531[P], 4[O],
ASP295OD23135[P], 20[O], 6[C],
ASP295OD12335[P], 16[O], 1[N], 1[C],
ASP295CG2836[P], 18[O], 4[C],
PHE297CE267330[C], 15[N], 19[O], 3[P],
PHE297CD262318[O], 2[P], 15[N], 27[C],
PHE297CE168330[C], 20[O], 3[P], 15[N],
PHE297CG49315[N], 10[O], 24[C],
PHE297CZ72330[C], 15[N], 23[O], 4[P],
PHE297CD165330[C], 2[P], 18[O], 15[N],
THR299CG2633[N], 3[C],
THR299OG11438[N], 6[C],
PHE305CG333[N],
PHE305CD1333[N],
ASN307CG82316[N], 7[P], 29[O], 30[C],
ASN307OD179316[N], 26[O], 7[P], 30[C],
ASN307ND284328[C], 8[P], 33[O], 15[N],
GLU308OE14739[C], 8[P], 28[O], 2[N],
GLU308OE24336[C], 1[N], 8[P], 28[O],
GLU308CG3638[P], 26[O], 1[N], 1[C],
GLU308CD4235[C], 8[P], 28[O], 1[N],
ASN310ND22631[N], 6[P], 19[O],
ASN310OD12531[N], 17[O], 7[P],
ASN310CG2031[N], 5[P], 14[O],
Total = 140



Download csv file of statistical distribution of contacts