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: UDP_A_7(2BND) / Model_5(2BND/A) = [7.7] Download546.037.96MKMANPKYKRILIKLSGEALAGERGVGIDIQTVQTIAKEIQEVHSLGIEIALVIGGGNLWRGEPAAEAGMDRVQADYTGMLGTVMNALVMADSLQQVGVDTRVQTAIAMQQVAEPYVRGRALRHLEKGRIVIFGAGIGSPYFSTDTTAALRAAEIEADAILMAKNGVDGVYNADPKKDKTAVKFEELTHRDVINKGLRIMDSTASTLSMDNDIDLVVFNMNQSGNIKRVVFGENIGTTVSNNIEEKE
Complex: UTP_A_3(2BNF) / Model_10(2BNF/A) = [7.7] Download879.236.36MKMANPKYKRILIKLSGEALAGERGVGIDIQTVQTIAKEIQEVHSLGIEIALVIGGGNLWRGEPAAEAGMDRVQADYTGMLGTVMNALVMADSLQQVGVDTRVQTAIAMQQVAEPYVRGRALRHLEKGRIVIFGAGIGSPYFSTDTTAALRAAEIEADAILMAKNGVDGVYNADPKKDKTAVKFEELTHRDVINKGLRIMDSTASTLSMDNDIDLVVFNMNQSGNIKRVVFGENIGTTVSNNIEEKE
Complex: U5P_A_7(2BNE) / Model_65(2BNE/A) = [5.8] Download588.175.79MKMANPKYKRILIKLSGEALAGERGVGIDIQTVQTIAKEIQEVHSLGIEIALVIGGGNLWRGEPAAEAGMDRVQADYTGMLGTVMNALVMADSLQQVGVDTRVQTAIAMQQVAEPYVRGRALRHLEKGRIVIFGAGIGSPYFSTDTTAALRAAEIEADAILMAKNGVDGVYNADPKKDKTAVKFEELTHRDVINKGLRIMDSTASTLSMDNDIDLVVFNMNQSGNIKRVVFGENIGTTVSNNIEEKE
Consensus
[pKd Mean = 7.07]		-671
(s=148)		6
(s=1)		MKMANPKYKRILIKLSGEALAGERGVGIDIQTVQTIAKEIQEVHSLGIEIALVIGGGNLWRGEPAAEAGMDRVQADYTGMLGTVMNALVMADSLQQVGVDTRVQTAIAMQQVAEPYVRGRALRHLEKGRIVIFGAGIGSPYFSTDTTAALRAAEIEADAILMAKNGVDGVYNADPKKDKTAVKFEELTHRDVINKGLRIMDSTASTLSMDNDIDLVVFNMNQSGNIKRVVFGENIGTTVSNNIEEKE



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]
LYS14NZ2932[C], 6[P], 21[O],
LYS14CG1033[P], 7[O],
LYS14CD22316[O], 6[P],
LYS14CE2736[P], 21[O],
SER16OG2335[P], 18[O],
GLU18OE11834[P], 14[O],
GLU18OE22031[C], 4[P], 15[O],
GLU18CD19314[O], 5[P],
GLU18CG1634[P], 12[O],
VAL53CG11238[O], 4[C],
ILE54CG2433[O], 1[P],
ILE54CD1131[O],
ILE54CG1531[P], 4[O],
ASN58CG634[O], 2[P],
ASN58ND2232[O],
ASN58OD11933[P], 13[O], 3[C],
TRP60CG534[C], 1[O],
ARG61CZ41325[O], 6[P], 10[C],
ARG61CG50315[C], 6[P], 29[O],
ARG61CD4636[P], 27[O], 13[C],
ARG61NE43327[O], 6[P], 10[C],
GLU63OE1935[O], 4[C],
GLU63CG936[O], 3[C],
GLU63OE2432[C], 2[O],
GLU63CD533[O], 2[C],
PRO64CD21310[O], 11[C],
PRO64CG1739[O], 8[C],
ARG72CG636[O],
ARG72CZ23312[C], 9[O], 2[N],
ARG72CD1235[C], 7[O],
ARG72NE24313[C], 9[O], 2[N],
ASP76OD244314[O], 6[N], 24[C],
ASP76OD150327[C], 17[O], 6[N],
ASP76CG48327[C], 15[O], 6[N],
THR78CG2333[O],
MET80CE39312[O], 6[N], 21[C],
MET80SD43325[C], 6[N], 12[O],
MET80CG5436[N], 21[O], 27[C],
THR83CG27035[P], 32[O], 6[N], 27[C],
THR83OG144322[C], 3[P], 13[O], 6[N],
ASN86CG333[O],
ASN86ND21533[P], 10[O], 2[C],
ILE107CD1933[N], 2[O], 4[C],
ILE137CG122312[C], 6[N], 4[O],
ILE137CG21433[O], 3[N], 8[C],
ILE137CD12134[O], 5[N], 12[C],
SER139OG1436[O], 3[N], 5[C],
PRO140CD1937[C], 6[O], 6[N],
PRO140CG1535[N], 5[O], 5[C],
TYR141CD2333[O],
TYR141CG933[N], 3[O], 3[C],
TYR141CD1632[C], 3[O], 1[N],
TYR141CE1333[O],
PHE142CE2933[C], 3[O], 3[N],
PHE142CZ933[C], 3[O], 3[N],
PHE142CG24312[C], 6[O], 6[N],
PHE142CE11533[N], 6[O], 6[C],
PHE142CD124312[C], 6[O], 6[N],
PHE142CD223312[C], 5[N], 6[O],
SER143OG62325[C], 25[O], 6[P], 6[N],
THR144CG273327[C], 34[O], 6[P], 6[N],
THR144OG16836[N], 6[P], 30[O], 26[C],
ASP145OD12436[P], 18[O],
ASP145OD221315[O], 6[P],
ASP145CG22316[O], 6[P],
THR146OG11332[N], 4[O], 7[C],
THR146CG21136[C], 2[N], 3[O],
THR147CG21539[C], 3[O], 3[N],
THR147OG131314[C], 6[N], 11[O],
LEU150CD2333[O],
MET162CE531[P], 4[O],
MET162SD131[O],
LYS164CG131[O],
LYS164CE131[O],
ASP201CG232[O],
ASP201OD2131[O],
Total = 76



Download csv file of statistical distribution of contacts