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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: GLU_A_3(2JFO) / Model_7(2JFO/A) = [4.5] Download4607.5233.29MDNRPIGFLDSGVGGLTVVRELMRQLPHEEIVYIGDSARAPYGPRPAEQIREYTWQLVNFLLTKDVKMIVIACNTATAVVWEEIKAQLDIPVLGVILPGASAAIKSSQGGKIGVIGTPMTVQSDIYRQKIHDLDPDLQVESLACPKFAPLVESGALSTSVTKKVVYETLRPLVGKVDSLILGCTHYPLLRPIIQNVMGPKVQLIDSGAECVRDISVLLNYFEINRGRDAGPLHHRFYTTASSQSFAQIGEEWLEKEIHVEHVEL
Complex: DGL_B_5(2JFP) / Model_22(2JFP/B) = [4.4] Download271.7517.18MDNRPIGFLDSGVGGLTVVRELMRQLPHEEIVYIGDSARAPYGPRPAEQIREYTWQLVNFLLTKDVKMIVIACNTATAVVWEEIKAQLDIPVLGVILPGASAAIKSSQGGKIGVIGTPMTVQSDIYRQKIHDLDPDLQVESLACPKFAPLVESGALSTSVTKKVVYETLRPLVGKVDSLILGCTHYPLLRPIIQNVMGPKVQLIDSGAECVRDISVLLNYFEINRGRDAGPLHHRFYTTASSQSFAQIGEEWLEKEIHVEHVEL
Complex: SIN_A_3(3IST) / Model_64(3IST/A) = [3.8] Download282.0818.67MDNRPIGFLDSGVGGLTVVRELMRQLPHEEIVYIGDSARAPYGPRPAEQIREYTWQLVNFLLTKDVKMIVIACNTATAVVWEEIKAQLDIPVLGVILPGASAAIKSSQGGKIGVIGTPMTVQSDIYRQKIHDLDPDLQVESLACPKFAPLVESGALSTSVTKKVVYETLRPLVGKVDSLILGCTHYPLLRPIIQNVMGPKVQLIDSGAECVRDISVLLNYFEINRGRDAGPLHHRFYTTASSQSFAQIGEEWLEKEIHVEHVEL
Complex: TLA_A_2(2JFW) / Model_6(2JFW/A) = [3.3] Download605.9015.55MDNRPIGFLDSGVGGLTVVRELMRQLPHEEIVYIGDSARAPYGPRPAEQIREYTWQLVNFLLTKDVKMIVIACNTATAVVWEEIKAQLDIPVLGVILPGASAAIKSSQGGKIGVIGTPMTVQSDIYRQKIHDLDPDLQVESLACPKFAPLVESGALSTSVTKKVVYETLRPLVGKVDSLILGCTHYPLLRPIIQNVMGPKVQLIDSGAECVRDISVLLNYFEINRGRDAGPLHHRFYTTASSQSFAQIGEEWLEKEIHVEHVEL
Consensus
[pKd Mean = 4.00]		-1441
(s=1832)		21
(s=7)		MDNRPIGFLDSGVGGLTVVRELMRQLPHEEIVYIGDSARAPYGPRPAEQIREYTWQLVNFLLTKDVKMIVIACNTATAVVWEEIKAQLDIPVLGVILPGASAAIKSSQGGKIGVIGTPMTVQSDIYRQKIHDLDPDLQVESLACPKFAPLVESGALSTSVTKKVVYETLRPLVGKVDSLILGCTHYPLLRPIIQNVMGPKVQLIDSGAECVRDISVLLNYFEINRGRDAGPLHHRFYTTASSQSFAQIGEEWLEKEIHVEHVEL



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]
ASP10CG3442[N], 14[O], 18[C],
ASP10OD233417[C], 14[O], 2[N],
ASP10OD136418[C], 16[O], 2[N],
SER11OG38418[O], 18[C], 2[N],
VAL13CG2442[N], 2[O],
THR17OG1442[O], 2[N],
PRO41CD1547[C], 8[O],
PRO41CG20411[C], 9[O],
TYR42CD229414[C], 13[O], 2[N],
TYR42CD12442[N], 12[C], 10[O],
TYR42CG31414[O], 15[C], 2[N],
TYR42CE22241[N], 9[O], 12[C],
TYR42CE11646[O], 10[C],
TYR42CZ1349[C], 4[O],
PRO44CG1143[C], 8[O],
PRO44CD20411[C], 9[O],
ARG45NE943[C], 6[O],
ARG45CD946[O], 3[C],
ARG45CZ141[O],
ARG45CG746[O], 1[C],
ILE50CD11447[O], 7[C],
ILE50CG1642[C], 4[O],
ILE50CG2643[C], 3[O],
CYS73SG3742[N], 18[C], 17[O],
ASN74OD12242[N], 11[C], 9[O],
ASN74ND22342[N], 11[C], 10[O],
ASN74CG2542[N], 13[C], 10[O],
THR75CG23742[N], 17[O], 18[C],
THR75OG138418[C], 18[O], 2[N],
THR77OG1745[O], 2[C],
VAL79CG1141[O],
VAL95CG1342[O], 1[C],
VAL95CG21548[O], 6[C], 1[N],
ILE96CG1141[O],
ILE96CD1544[O], 1[C],
THR117OG138418[O], 18[C], 2[N],
THR117CG23842[N], 18[O], 18[C],
PRO118CG343[O],
PRO118CD1748[C], 9[O],
MET119SD141[O],
MET119CE141[O],
MET119CG1347[O], 6[C],
THR120CG21345[C], 8[O],
THR120OG13442[N], 14[O], 18[C],
TYR126CE1545[O],
PRO149CD1146[C], 5[O],
PRO149CG343[O],
GLU152CD1648[C], 7[O], 1[N],
GLU152OE22042[N], 8[O], 10[C],
GLU152OE11147[O], 4[C],
GLU152CG1548[O], 7[C],
CYS183SG3842[N], 18[C], 18[O],
THR184CG22342[N], 9[O], 12[C],
THR184OG13442[N], 14[O], 18[C],
HIS185ND138418[C], 18[O], 2[N],
HIS185CE13842[N], 18[C], 18[O],
HIS185CD23542[N], 15[O], 18[C],
HIS185NE236418[C], 16[O], 2[N],
HIS185CG3742[N], 17[O], 18[C],
TYR186CE21246[O], 6[C],
TYR186CE13042[N], 11[O], 17[C],
TYR186CD2742[C], 5[O],
TYR186CD118410[C], 6[O], 2[N],
TYR186CZ25414[C], 10[O], 1[N],
TYR186CG941[N], 5[O], 3[C],
PRO187CD341[N], 2[O],
Total = 66



Download csv file of statistical distribution of contacts