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 :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: DND_D_11(3E27) / Model_41(3E27/D) = [11.0] Download1297.8421.91MMNTQAKTFVRSQLFPEEMPQFLEKKKQVGILGGTFNPVHLAHLVMAEQAGRNLGLDRVFLMPSYQPPHVDEKQTIDAKHRLNMLELAVEDNPFLQIETIELARGGKSYTYDTMKELTQNNPDTDYYFIIGGDMVEYLPKWYKIDELTSMVNFVGIRRPGYTTDTPYPVIWVDVPEIDISSTKIRQKIKEGCSIRYLVPDKVIDYIQNEGLYEYGL
Complex: NXX_B_9(2QTR) / Model_40(2QTR/B) = [10.8] Download1268.0121.07MMNTQAKTFVRSQLFPEEMPQFLEKKKQVGILGGTFNPVHLAHLVMAEQAGRNLGLDRVFLMPSYQPPHVDEKQTIDAKHRLNMLELAVEDNPFLQIETIELARGGKSYTYDTMKELTQNNPDTDYYFIIGGDMVEYLPKWYKIDELTSMVNFVGIRRPGYTTDTPYPVIWVDVPEIDISSTKIRQKIKEGCSIRYLVPDKVIDYIQNEGLYEYGL
Complex: LJZ_A_5(3MLB) / Model_6(3MLB/A) = [6.0] Download2012.6222.17MMNTQAKTFVRSQLFPEEMPQFLEKKKQVGILGGTFNPVHLAHLVMAEQAGRNLGLDRVFLMPSYQPPHVDEKQTIDAKHRLNMLELAVEDNPFLQIETIELARGGKSYTYDTMKELTQNNPDTDYYFIIGGDMVEYLPKWYKIDELTSMVNFVGIRRPGYTTDTPYPVIWVDVPEIDISSTKIRQKIKEGCSIRYLVPDKVIDYIQNEGLYEYGL
Complex: JJZ_A_3(3MLA) / Model_5(3MLA/A) = [5.4] Download1571.1228.09MMNTQAKTFVRSQLFPEEMPQFLEKKKQVGILGGTFNPVHLAHLVMAEQAGRNLGLDRVFLMPSYQPPHVDEKQTIDAKHRLNMLELAVEDNPFLQIETIELARGGKSYTYDTMKELTQNNPDTDYYFIIGGDMVEYLPKWYKIDELTSMVNFVGIRRPGYTTDTPYPVIWVDVPEIDISSTKIRQKIKEGCSIRYLVPDKVIDYIQNEGLYEYGL
Complex: NCN_B_5(2QTN) / Model_44(2QTN/B) = [4.5] Download1170.9229.28MMNTQAKTFVRSQLFPEEMPQFLEKKKQVGILGGTFNPVHLAHLVMAEQAGRNLGLDRVFLMPSYQPPHVDEKQTIDAKHRLNMLELAVEDNPFLQIETIELARGGKSYTYDTMKELTQNNPDTDYYFIIGGDMVEYLPKWYKIDELTSMVNFVGIRRPGYTTDTPYPVIWVDVPEIDISSTKIRQKIKEGCSIRYLVPDKVIDYIQNEGLYEYGL
Consensus
[pKd Mean = 7.54]
-1464
(s=304)
24
(s=3)
MMNTQAKTFVRSQLFPEEMPQFLEKKKQVGILGGTFNPVHLAHLVMAEQAGRNLGLDRVFLMPSYQPPHVDEKQTIDAKHRLNMLELAVEDNPFLQIETIELARGGKSYTYDTMKELTQNNPDTDYYFIIGGDMVEYLPKWYKIDELTSMVNFVGIRRPGYTTDTPYPVIWVDVPEIDISSTKIRQKIKEGCSIRYLVPDKVIDYIQNEGLYEYGL



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]
ILE31CG1353[O],
ILE31CD1855[C], 3[O],
ILE31CG2854[C], 3[O], 1[N],
LEU32CD17858[N], 2[P], 24[O], 42[C],
LEU32CG6557[N], 2[P], 17[O], 37[C],
LEU32CD254531[C], 12[O], 2[P], 8[N],
THR35CG22956[C], 18[O], 5[P],
THR35OG143523[O], 14[C], 1[N], 5[P],
PHE36CE138515[O], 18[C], 2[N], 3[P],
PHE36CD22753[P], 1[N], 13[C], 10[O],
PHE36CG2056[C], 11[O], 3[P],
PHE36CD129510[C], 16[O], 3[P],
PHE36CZ48526[C], 17[O], 3[P], 2[N],
PHE36CE24353[P], 4[N], 22[C], 14[O],
ASN37CG151[O],
VAL39CG2451[P], 2[O], 1[C],
VAL39CG1151[O],
HIS40ND13156[O], 14[C], 1[P], 10[N],
HIS40CG2157[N], 1[P], 5[O], 8[C],
HIS40CE142510[N], 2[P], 9[O], 21[C],
HIS40CD22858[O], 12[C], 2[P], 6[N],
HIS40NE24159[O], 20[C], 2[P], 10[N],
HIS43ND140510[O], 21[C], 2[P], 7[N],
HIS43CD27054[P], 12[N], 34[C], 18[O],
HIS43CG51510[N], 2[P], 12[O], 27[C],
HIS43NE271520[O], 34[C], 12[N], 4[P],
HIS43CE14257[N], 3[P], 11[O], 21[C],
VAL45CG1854[C], 4[N],
VAL45CG2453[N], 1[C],
MET46CE34511[N], 21[C],
MET46SD44512[N], 4[O], 26[C],
MET46CG4656[O], 29[C], 10[N],
LEU61CD2353[C],
MET62CE454[O],
MET62CG1557[C], 8[O],
MET62SD1958[O], 11[C],
PRO63CD151[O],
SER64OG4254[P], 2[N], 15[C], 21[O],
PRO67CG1352[P], 8[O], 3[C],
PRO67CD852[C], 5[O], 1[P],
PRO68CD4252[P], 2[N], 16[O], 22[C],
PRO68CG40515[O], 22[C], 1[P], 2[N],
HIS69ND132511[O], 17[C], 2[P], 2[N],
HIS69NE234518[C], 13[O], 2[P], 1[N],
HIS69CD23152[P], 2[N], 17[C], 10[O],
HIS69CE136518[C], 14[O], 2[N], 2[P],
HIS69CG3252[N], 1[P], 11[O], 18[C],
VAL70CG11052[P], 6[O], 2[C],
VAL70CG226512[O], 10[C], 1[N], 3[P],
LYS73NZ151[O],
ARG81NE151[O],
GLU101CG1256[C], 6[O],
GLU101OE13955[N], 19[C], 15[O],
GLU101CD29517[C], 11[O], 1[N],
GLU101OE23554[N], 12[O], 19[C],
LYS107CD352[O], 1[C],
SER108OG1156[O], 5[C],
TYR109CG2251[N], 13[C], 8[O],
TYR109CD11856[O], 11[C], 1[N],
TYR109CZ1458[C], 6[O],
TYR109CE11456[O], 8[C],
TYR109CE22351[N], 6[O], 16[C],
TYR109CD229519[C], 8[O], 2[N],
THR110OG17951[P], 7[N], 49[C], 22[O],
THR110CG26257[N], 17[O], 38[C],
TYR111CD1151[O],
TYR111CD2151[O],
TYR111CG353[O],
ASP112OD1353[O],
ASP112CG353[O],
THR113CG2353[O],
THR113OG11059[O], 1[C],
MET114SD151[O],
MET114CG151[O],
PHE128CE150514[O], 27[C], 9[N],
PHE128CE277521[O], 46[C], 9[N], 1[P],
PHE128CZ7551[P], 9[N], 22[O], 43[C],
PHE128CD26059[N], 35[C], 16[O],
PHE128CD138522[C], 11[O], 5[N],
PHE128CG41513[O], 23[C], 5[N],
ILE129CD11259[C], 2[N],
ILE129CG11552[O], 10[C], 2[N],
ILE129CG24356[N], 8[O], 27[C],
ILE130CD14051[P], 4[N], 21[C], 13[O],
ILE130CG154513[O], 34[C], 1[P], 4[N],
ILE130CG28458[N], 1[P], 54[C], 19[O],
ASP133OD26354[P], 8[N], 20[O], 30[C],
ASP133OD155518[O], 25[C], 8[N], 4[P],
ASP133CG59517[O], 28[C], 4[P], 9[N],
MET134CG13655[P], 13[N], 81[C], 35[O],
MET134CE12455[P], 9[N], 32[O], 76[C],
MET134SD130511[N], 5[P], 34[O], 78[C],
VAL135CG2353[O],
GLU136CG1253[N], 2[O], 6[C],
GLU136CD851[N], 5[C], 1[O],
GLU136OE2554[C], 1[N],
GLU136OE1951[N], 1[O], 6[C],
TYR137CZ39529[C], 4[O], 5[N],
TYR137CD24554[N], 8[O], 32[C],
TYR137CE23954[N], 27[C], 7[O],
TYR137CD145534[C], 6[O], 4[N],
TYR137CE14154[N], 5[O], 31[C],
TYR137CG4855[N], 38[C], 4[O],
LEU138CG554[C], 1[N],
LEU138CD1851[N], 1[O], 6[C],
LEU138CD24656[N], 36[C], 4[O],
PRO139CD151[C],
LYS140CE1251[O], 9[C], 2[N],
LYS140NZ752[N], 4[C], 1[O],
LYS140CD1852[N], 15[C], 1[O],
LYS140CG1652[N], 1[O], 13[C],
TRP141CZ395525[O], 61[C], 8[N], 1[P],
TRP141CE2102563[C], 29[O], 8[N], 2[P],
TRP141CZ211553[P], 10[N], 33[O], 68[C],
TRP141CD29058[N], 22[O], 60[C],
TRP141CD17859[N], 14[O], 55[C],
TRP141NE19959[N], 2[P], 62[C], 26[O],
TRP141CE38857[N], 59[C], 22[O],
TRP141CG73514[O], 51[C], 8[N],
TYR142CE2856[O], 2[C],
TYR142CD21156[O], 5[C],
TYR142CG1456[O], 8[C],
TYR142CD11056[O], 4[C],
TYR142CZ555[O],
TYR142CE1651[C], 5[O],
LYS143CG252[O],
ILE144CG1452[C], 2[O],
LEU147CD230510[O], 16[C], 4[N],
LEU147CD1353[O],
LEU147CG754[C], 3[O],
PHE153CD1151[O],
PHE153CD2853[O], 5[C],
PHE153CZ1353[N], 6[C], 4[O],
PHE153CE1551[N], 3[C], 1[O],
PHE153CE22358[O], 10[C], 5[N],
ILE156CG12355[N], 1[O], 16[C],
ILE156CD130518[C], 3[O], 7[N],
ILE156CG22356[N], 16[C],
ARG157CG151[C],
ARG158CZ4452[P], 10[N], 20[C], 12[O],
ARG158CD33510[N], 16[C], 7[O],
ARG158NE39510[N], 18[C], 11[O],
ARG158CG27514[C], 3[O], 10[N],
PRO159CD1558[C], 7[N],
PRO159CG854[N], 4[C],
TYR161CD11055[C], 2[O], 3[N],
TYR161CE1953[N], 4[C], 2[O],
TYR161CG252[O],
TYR161CZ151[O],
VAL174CG2955[C], 4[N],
VAL174CG1252[C],
GLU176CG1054[C], 6[N],
GLU176CD452[N], 2[C],
GLU176OE1652[N], 4[C],
ILE177CG21256[C], 6[N],
ILE177CD1753[C], 4[N],
ILE177CG1954[N], 5[C],
ASP178CG252[N],
ASP178OD1351[C], 2[N],
ILE179CG21156[C], 5[N],
ILE179CD1452[N], 2[C],
ILE179CG11056[N], 4[C],
SER180OG1054[N], 5[C], 1[O],
SER181OG26513[O], 6[C], 4[N], 3[P],
THR182OG1353[O],
LYS183NZ151[N],
ARG185CZ151[O],
ARG185NE151[O],
Total = 168



Download csv file of statistical distribution of contacts