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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: NACID_V_5(1DE9) / Model_26(1DE9/B) = [6.2] Download--MKLISWNIDSLNAALTSDSARAKLSQEVLQTLVAENADIIAIQETKLSAKGPTKKHVEILEELFPGYENTWRSSQEPARKGYAGTMFLYKKELTPTISFPEIGAPSTMDLEGRIITLEFDAFFVTQVYTPNAGDGLKRLEERQVWDAKYAEYLAELDKEKPVLATGDYNVAHNEIDLANPASNRRSPGFTDEERAGFTNLLATGFTDTFRHVHGDVPERYTWWAQRSKTSKINNTGWRIDYWLTSNRIADKVTKSDMIDSGARQDHTPIVLEIDL
Consensus
[pKd Mean = 6.20]		-0
(s=0)		0
(s=0)		MKLISWNIDSLNAALTSDSARAKLSQEVLQTLVAENADIIAIQETKLSAKGPTKKHVEILEELFPGYENTWRSSQEPARKGYAGTMFLYKKELTPTISFPEIGAPSTMDLEGRIITLEFDAFFVTQVYTPNAGDGLKRLEERQVWDAKYAEYLAELDKEKPVLATGDYNVAHNEIDLANPASNRRSPGFTDEERAGFTNLLATGFTDTFRHVHGDVPERYTWWAQRSKTSKINNTGWRIDYWLTSNRIADKVTKSDMIDSGARQDHTPIVLEIDL



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]
ASN7CG611[C], 4[O], 1[P],
ASN7OD1611[C], 4[O], 1[P],
ASN7ND2611[P], 1[C], 4[O],
ASP9CG111[O],
ASP9OD1311[P], 2[O],
GLU44CG511[P], 4[O],
GLU44OE2811[P], 2[C], 5[O],
GLU44CD611[P], 4[O], 1[C],
GLU44OE1611[P], 1[C], 4[O],
ARG113CZ111[O],
TYR128CZ611[P], 1[C], 4[O],
TYR128CE1711[C], 5[O], 1[P],
TYR128CE2514[O], 1[P],
TYR128CD1514[O], 1[P],
TYR128CG411[P], 3[O],
TYR128CD2413[O], 1[P],
ASN131OD11612[P], 9[O], 5[C],
ASN131CG1412[P], 5[C], 7[O],
ASN131ND21619[O], 5[C], 2[P],
ASP134OD21711[P], 6[C], 6[O], 4[N],
ASP134CG1817[C], 6[O], 4[N], 1[P],
ASP134OD125114[C], 6[O], 4[N], 1[P],
ASP167CG911[P], 5[O], 3[C],
ASP167OD21011[P], 5[O], 4[C],
ASP167OD11015[O], 4[C], 1[P],
ASN169CG1211[P], 5[C], 6[O],
ASN169ND21216[O], 5[C], 1[P],
ASN169OD11216[O], 5[C], 1[P],
LEU177CD1511[P], 3[O], 1[C],
LEU177CG411[P], 3[O],
ASN179CG2612[P], 12[C], 10[O], 2[N],
ASN179OD11812[P], 8[C], 8[O],
ASN179ND23412[P], 17[C], 11[O], 4[N],
PRO180CD111[O],
SER182OG2119[C], 5[O], 6[N], 1[P],
ASN183ND243123[C], 11[O], 7[N], 2[P],
ASN183CG3212[P], 8[O], 5[N], 17[C],
ASN183OD13215[N], 8[O], 18[C], 1[P],
SER186OG34115[C], 7[N], 10[O], 2[P],
PRO187CG20110[C], 7[O], 2[N], 1[P],
PRO187CD21112[C], 6[O], 2[N], 1[P],
GLU193OE2311[O], 2[C],
GLU193OE1111[C],
GLU193CD111[C],
THR221OG1111[O],
TRP222NE11712[P], 9[O], 6[C],
TRP222CE220111[O], 7[C], 2[P],
TRP222CG1716[C], 9[O], 2[P],
TRP222CE327110[C], 14[O], 3[P],
TRP222CZ329113[O], 1[N], 12[C], 3[P],
TRP222CD222111[O], 8[C], 3[P],
TRP222CD11616[C], 8[O], 2[P],
TRP222CZ22413[P], 12[O], 9[C],
TRP223CD1111[O],
TRP223CG111[O],
ARG226CZ2517[N], 6[O], 11[C], 1[P],
ARG226CD3317[N], 7[O], 18[C], 1[P],
ARG226CG2211[P], 6[N], 4[O], 11[C],
ARG226NE2411[P], 7[N], 6[O], 10[C],
LYS228CG29115[C], 5[N], 8[O], 1[P],
LYS228NZ5912[P], 31[C], 14[O], 12[N],
LYS228CD45124[C], 9[O], 10[N], 2[P],
LYS228CE4612[P], 24[C], 10[N], 10[O],
THR229OG1412[O], 1[C], 1[P],
SER230OG2612[P], 12[C], 11[O], 1[N],
ASN233ND2811[P], 4[O], 3[C],
ASN233CG511[C], 3[O], 1[P],
ASN233OD1211[O], 1[P],
THR235CG22511[N], 10[O], 12[C], 2[P],
THR235OG11512[P], 8[O], 5[C],
TRP237NE12912[P], 14[C], 2[N], 11[O],
TRP237CE22612[P], 13[C], 10[O], 1[N],
TRP237CG2119[O], 10[C], 2[P],
TRP237CD12312[P], 11[C], 10[O],
TRP237CE31818[O], 8[C], 2[P],
TRP237CD222110[C], 10[O], 2[P],
TRP237CZ32012[P], 9[C], 9[O],
TRP237CZ228110[O], 3[N], 13[C], 2[P],
ILE239CG11216[O], 5[C], 1[P],
ILE239CD11612[P], 8[O], 6[C],
ILE239CG21115[O], 5[C], 1[P],
ASP240OD2111[O],
ASP240OD1411[P], 3[O],
ASP240CG111[O],
ASP265CG913[C], 5[O], 1[P],
ASP265OD1614[O], 1[C], 1[P],
ASP265OD21212[P], 7[O], 3[C],
HIS266CE11115[C], 5[O], 1[P],
HIS266NE21311[P], 7[O], 5[C],
HIS266CG614[O], 1[C], 1[P],
HIS266ND1812[C], 5[O], 1[P],
HIS266CD2915[O], 3[C], 1[P],
Total = 92



Download csv file of statistical distribution of contacts