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: UPG_A_5(3JUK) / Model_54(3JUK/A) = [7.6] Download1180.1721.29MTSKVRKAVIPAAGLGTRFLPATKALAKEMLPIVDKPTIQFIVEEALKSGIEDILVVTGKSKRSIEDHFDSNFELEYNLKEKGKTDLLKLVDETTGMRLHFIRQTHPRGLGDAVLQAKAFVGNEPFVVMLGDDLMDITDEKAVPLTKQLMDDYKRTHASTIAVMPVPHDEVSAYGVIAPQGEGKDGLYSVETFVEKPAPEDAPSDLAIIGRYLLTPEIFQILENQAPGAGNEIQLTDAIDTLNKTQRVFAREFTGARYDVGDKFGFMKTSIDYALKHPQVKDDLKNYLIQLGKELTEKE
Complex: UTP_A_2(5VE7) / Model_2(5VE7/A) = [6.6] Download1222.5623.86MTSKVRKAVIPAAGLGTRFLPATKALAKEMLPIVDKPTIQFIVEEALKSGIEDILVVTGKSKRSIEDHFDSNFELEYNLKEKGKTDLLKLVDETTGMRLHFIRQTHPRGLGDAVLQAKAFVGNEPFVVMLGDDLMDITDEKAVPLTKQLMDDYKRTHASTIAVMPVPHDEVSAYGVIAPQGEGKDGLYSVETFVEKPAPEDAPSDLAIIGRYLLTPEIFQILENQAPGAGNEIQLTDAIDTLNKTQRVFAREFTGARYDVGDKFGFMKTSIDYALKHPQVKDDLKNYLIQLGKELTEKE
Complex: GUD_B_14(2PA4) / Model_49(2PA4/B) = [5.9] Download1025.5821.82MTSKVRKAVIPAAGLGTRFLPATKALAKEMLPIVDKPTIQFIVEEALKSGIEDILVVTGKSKRSIEDHFDSNFELEYNLKEKGKTDLLKLVDETTGMRLHFIRQTHPRGLGDAVLQAKAFVGNEPFVVMLGDDLMDITDEKAVPLTKQLMDDYKRTHASTIAVMPVPHDEVSAYGVIAPQGEGKDGLYSVETFVEKPAPEDAPSDLAIIGRYLLTPEIFQILENQAPGAGNEIQLTDAIDTLNKTQRVFAREFTGARYDVGDKFGFMKTSIDYALKHPQVKDDLKNYLIQLGKELTEKE
Consensus
[pKd Mean = 6.70]		-1142
(s=84)		22
(s=1)		MTSKVRKAVIPAAGLGTRFLPATKALAKEMLPIVDKPTIQFIVEEALKSGIEDILVVTGKSKRSIEDHFDSNFELEYNLKEKGKTDLLKLVDETTGMRLHFIRQTHPRGLGDAVLQAKAFVGNEPFVVMLGDDLMDITDEKAVPLTKQLMDDYKRTHASTIAVMPVPHDEVSAYGVIAPQGEGKDGLYSVETFVEKPAPEDAPSDLAIIGRYLLTPEIFQILENQAPGAGNEIQLTDAIDTLNKTQRVFAREFTGARYDVGDKFGFMKTSIDYALKHPQVKDDLKNYLIQLGKELTEKE



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]
ILE10CG21135[C], 6[O],
PRO11CG47326[C], 6[N], 15[O],
PRO11CD3735[N], 13[O], 19[C],
LEU15CD11333[C], 2[P], 8[O],
LEU15CG2439[C], 10[O], 2[P], 3[N],
LEU15CD21133[C], 2[P], 5[O], 1[N],
THR17OG11038[O], 2[P],
THR17CG2932[P], 7[O],
ARG18CG12310[O], 2[P],
ARG18CD1133[P], 8[O],
ARG18NE1833[P], 15[O],
ARG18CZ1831[C], 3[P], 14[O],
PHE19CZ131[O],
PHE19CD2131[O],
PHE19CE1232[O],
PHE19CG131[O],
PHE19CD1634[O], 2[P],
LEU20CD1232[O],
LEU20CG232[O],
THR23CG2232[O],
THR23OG1431[P], 3[O],
LYS28CG33312[C], 4[P], 17[O],
LYS28NZ6437[P], 35[O], 2[N], 20[C],
LYS28CD46313[C], 1[N], 5[P], 27[O],
LYS28CE5532[N], 7[P], 29[O], 17[C],
GLU29OE154323[C], 23[O], 3[P], 5[N],
GLU29CD47321[C], 3[N], 3[P], 20[O],
GLU29CG30314[O], 1[N], 15[C],
GLU29OE242318[C], 18[O], 2[P], 4[N],
THR38CG2131[O],
ILE39CD1232[O],
VAL57CG127312[C], 9[O], 6[N],
VAL57CG21234[N], 4[O], 4[C],
LYS62CE633[C], 3[O],
LYS62CD432[C], 2[O],
LYS62NZ1236[C], 4[O], 2[N],
LYS62CG131[O],
ILE65CG1131[O],
ILE65CD1333[O],
GLN104CD30315[C], 6[N], 9[O],
GLN104CG2436[N], 6[O], 12[C],
GLN104OE134311[O], 6[N], 17[C],
GLN104NE231316[C], 9[O], 6[N],
PRO107CD1333[N], 3[O], 7[C],
PRO107CG1834[N], 4[O], 10[C],
ARG108CD333[O],
ARG108CG731[N], 3[O], 3[C],
LEU110CD175333[C], 6[N], 31[O], 5[P],
LEU110CG84337[C], 6[N], 5[P], 36[O],
LEU110CD288338[O], 5[P], 6[N], 39[C],
ASP112CG933[C], 3[O], 3[N],
ASP112OD21033[O], 3[N], 4[C],
VAL114CG21536[O], 2[N], 7[C],
GLN116NE2532[C], 1[N], 2[O],
GLN116CD431[N], 2[O], 1[C],
GLN116OE1331[C], 1[O], 1[N],
VAL128CG1835[O], 3[C],
LEU130CD271332[C], 3[N], 32[O], 4[P],
LEU130CD17133[N], 32[O], 5[P], 31[C],
LEU130CG66328[C], 3[N], 31[O], 4[P],
ASP132CG6331[N], 6[P], 35[O], 21[C],
ASP132OD267326[C], 6[P], 34[O], 1[N],
ASP132OD174328[C], 3[N], 36[O], 7[P],
ASP133OD11931[P], 10[O], 8[C],
ASP133CG23310[O], 1[P], 12[C],
ASP133OD235317[C], 16[O], 2[P],
ILE161CG2432[O], 2[C],
TYR174CE231312[C], 2[P], 17[O],
TYR174CE11538[C], 7[O],
TYR174CZ2339[C], 12[O], 2[P],
TYR174CD232312[C], 2[P], 18[O],
TYR174CD12131[P], 12[O], 8[C],
TYR174CG30312[C], 16[O], 2[P],
VAL176CG2434[O],
PHE193CZ1035[O], 5[C],
PHE193CD2332[O], 1[C],
PHE193CE1733[O], 4[C],
PHE193CE2633[O], 3[C],
PHE193CG231[C], 1[O],
PHE193CD1432[O], 2[C],
GLU195OE130312[C], 2[P], 16[O],
GLU195CD30316[O], 2[P], 12[C],
GLU195OE24234[P], 24[O], 14[C],
GLU195CG2632[P], 14[O], 10[C],
LYS196CG28316[O], 2[P], 10[C],
LYS196CD29316[O], 3[P], 10[C],
LYS196CE36310[C], 22[O], 4[P],
LYS196NZ43314[C], 4[P], 25[O],
ILE208CD11438[C], 6[O],
ILE208CG119311[C], 8[O],
ILE208CG224312[O], 12[C],
ILE209CG11135[O], 6[C],
ILE209CG21136[C], 5[O],
ILE209CD1432[O], 2[C],
TYR212CE223314[C], 9[O],
TYR212CD1836[C], 2[O],
TYR212CD2732[O], 5[C],
TYR212CE122313[C], 9[O],
TYR212CZ26312[O], 14[C],
GLU232CD30311[C], 2[P], 12[O], 5[N],
GLU232OE15135[P], 21[O], 6[N], 19[C],
GLU232OE22739[C], 2[P], 12[O], 4[N],
GLU232CG1538[C], 5[O], 2[N],
GLN234OE133316[O], 4[P], 13[C],
GLN234CG634[O], 2[C],
GLN234CD1932[P], 10[O], 7[C],
GLN234NE22037[C], 2[P], 11[O],
LEU235CD2633[O], 3[C],
LEU235CG632[C], 4[O],
THR236CG21136[C], 5[O],
THR236OG120310[C], 10[O],
ILE239CD1131[O],
ARG257CD432[C], 2[O],
ARG257NE1135[O], 6[C],
ARG257CG432[O], 2[C],
ARG257CZ1436[C], 8[O],
ASP259OD22433[P], 15[O], 6[C],
ASP259OD12637[C], 16[O], 3[P],
ASP259CG20314[O], 2[P], 4[C],
VAL260CG2333[O],
ASP262CG535[O],
ASP262OD11032[P], 8[O],
ASP262OD2232[O],
Total = 123



Download csv file of statistical distribution of contacts