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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ATP_A_4(3SL2) / Model_13(3SL2/A) = [7.6] Download1153.4525.82MTQDSKRATEKRRRINLTSKEISELLAEGIITIILLLLLNVSILVVISSVINSSPSLTNAIWDSKNIFAERLNTDLFWNGRNFIIPFFFLLDIGVLYWRLIRRYRQMQLRHIISELHYIANGNYDHRIPFELSGDLSRVVTSINGLVDSTVAAIEDERKIEKSKDELITNVSHDIRTPLTSIIGYLGLIEDGQYHSEEDLLKYTHTAYIKAKQMKSLVDDLFEYTKVRQPAVPVNFSAFDMIQLIEQLAADFELEASKKNIQILVQSKVDSLIMDGDTEKLVRVFNNLLTNALKYGKGATKIVIEVERIGSEVVATVKNNGAMIPQQAIDNLFDRFYRVEESRSQATGGTGLGLAIAQSIVALHGGYIYAKSDKQWTSFIMHLPIKKNEKLPIDTQEVIDES
Consensus
[pKd Mean = 7.60]		-1153
(s=0)		25
(s=0)		MTQDSKRATEKRRRINLTSKEISELLAEGIITIILLLLLNVSILVVISSVINSSPSLTNAIWDSKNIFAERLNTDLFWNGRNFIIPFFFLLDIGVLYWRLIRRYRQMQLRHIISELHYIANGNYDHRIPFELSGDLSRVVTSINGLVDSTVAAIEDERKIEKSKDELITNVSHDIRTPLTSIIGYLGLIEDGQYHSEEDLLKYTHTAYIKAKQMKSLVDDLFEYTKVRQPAVPVNFSAFDMIQLIEQLAADFELEASKKNIQILVQSKVDSLIMDGDTEKLVRVFNNLLTNALKYGKGATKIVIEVERIGSEVVATVKNNGAMIPQQAIDNLFDRFYRVEESRSQATGGTGLGLAIAQSIVALHGGYIYAKSDKQWTSFIMHLPIKKNEKLPIDTQEVIDES



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]
ASN287OD1514[O], 1[P],
ASN287CG715[O], 2[P],
ASN287ND2715[O], 2[P],
LEU288CG211[O], 1[N],
LEU288CD2512[C], 1[O], 2[N],
THR290OG1414[O],
THR290CG2712[P], 5[O],
ASN291CG3113[P], 13[O], 5[N], 10[C],
ASN291ND23113[P], 13[O], 5[N], 10[C],
ASN291OD131110[C], 5[N], 13[O], 3[P],
LYS294CG913[C], 1[P], 5[O],
LYS294CD1912[N], 9[O], 3[P], 5[C],
LYS294CE1419[O], 3[P], 2[C],
LYS294NZ1613[P], 10[O], 3[C],
TYR295CE126110[C], 5[N], 9[O], 2[P],
TYR295CD12119[C], 5[N], 6[O], 1[P],
TYR295CZ3013[P], 12[O], 5[N], 10[C],
TYR295CD22619[O], 5[N], 2[P], 10[C],
TYR295CE23013[P], 12[O], 5[N], 10[C],
TYR295CG2119[C], 1[P], 6[O], 5[N],
VAL317CG1111[N],
ASN319CG814[C], 4[N],
ASN319ND21015[C], 5[N],
ASN319OD1814[N], 4[C],
MET323CE211[N], 1[C],
MET323SD512[C], 3[N],
MET323CG412[C], 2[N],
ILE324CD118110[C], 3[O], 5[N],
ILE324CG11712[O], 5[N], 10[C],
ILE324CG21512[O], 4[N], 9[C],
PRO325CG111[O],
PRO325CD814[C], 2[O], 2[N],
LEU332CD22314[N], 8[O], 1[P], 10[C],
LEU332CD120110[C], 1[P], 4[O], 5[N],
LEU332CG2011[P], 5[O], 4[N], 10[C],
PHE333CD1512[C], 2[O], 1[P],
PHE333CZ211[C], 1[N],
PHE333CG312[O], 1[C],
PHE333CE1411[N], 2[O], 1[C],
PHE336CD1111[O],
PHE336CE1111[O],
TYR337CE2412[O], 2[C],
TYR337CE11015[C], 4[O], 1[N],
TYR337CD11415[C], 1[N], 7[O], 1[P],
TYR337CZ813[O], 5[C],
TYR337CG1015[C], 5[O],
TYR337CD2412[C], 2[O],
ARG338NE1514[C], 9[O], 2[P],
ARG338CZ812[C], 1[P], 5[O],
ARG338CD2115[C], 3[P], 13[O],
ARG338CG2211[N], 13[O], 3[P], 5[C],
VAL339CG21714[N], 4[O], 9[C],
VAL339CG11112[N], 3[O], 6[C],
GLU340CD111[O],
GLU340CG111[O],
GLU340OE1111[O],
THR350OG1917[O], 2[P],
THR350CG21118[O], 3[P],
LEU352CD2413[O], 1[P],
LEU352CD1514[O], 1[P],
LEU352CG913[P], 6[O],
LEU354CG2619[C], 3[N], 11[O], 3[P],
LEU354CD127110[C], 2[P], 10[O], 5[N],
LEU354CD22013[N], 7[O], 2[P], 8[C],
ILE356CD1511[P], 4[O],
ILE356CG1313[O],
SER372OG915[N], 4[C],
THR377OG11116[C], 5[N],
THR377CG21215[N], 1[O], 6[C],
PHE379CE220110[C], 1[P], 4[O], 5[N],
PHE379CG814[C], 4[N],
PHE379CZ2111[P], 5[O], 5[N], 10[C],
PHE379CD21212[O], 5[N], 5[C],
PHE379CE11715[N], 3[O], 9[C],
PHE379CD11215[N], 1[O], 6[C],
Total = 75



Download csv file of statistical distribution of contacts