Binding Site Information :
Doc...
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: FMN_A_3(4YCP) / Model_3(4YCP/A) = [10.5] Download1220.0417.55MKLILAPMEGLTDPIMRDTLTSVGHFDWCVTEFIRVTDSILPDHIYYSFCPELKNDGKTAAGTPVHVQFLGNNPEMLAANAAKVVELGAPAIDLNFGCPAKTVNRHRGGSVLLDEPDVVHMLIKAVRDAVPAHIPVSAKMRLGYLDENHTMENAHAVEDAGASWLTVHARTKADGYTPPAYWEKILPIKEALKINVIANGEIWTNADARACQQQSGCEDLMIGRGAVTTPDLTQCIRQNMDEALFTWEQLVDLQIRFLNGQAKTEIGMVGRYKQWLGMMTKAYPQAKELWDQVKRIKALDEIVQQLEQMITKKREFGLSRI
Consensus
[pKd Mean = 10.50]		-1220
(s=0)		17
(s=0)		MKLILAPMEGLTDPIMRDTLTSVGHFDWCVTEFIRVTDSILPDHIYYSFCPELKNDGKTAAGTPVHVQFLGNNPEMLAANAAKVVELGAPAIDLNFGCPAKTVNRHRGGSVLLDEPDVVHMLIKAVRDAVPAHIPVSAKMRLGYLDENHTMENAHAVEDAGASWLTVHARTKADGYTPPAYWEKILPIKEALKINVIANGEIWTNADARACQQQSGCEDLMIGRGAVTTPDLTQCIRQNMDEALFTWEQLVDLQIRFLNGQAKTEIGMVGRYKQWLGMMTKAYPQAKELWDQVKRIKALDEIVQQLEQMITKKREFGLSRI



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]
PRO7CG2115[O], 4[N], 12[C],
PRO7CD21111[C], 4[N], 6[O],
MET8SD2613[N], 16[C], 1[P], 6[O],
MET8CG29117[C], 4[N], 7[O], 1[P],
MET8CE2411[P], 6[O], 2[N], 15[C],
GLU9OE2711[N], 5[C], 1[O],
GLU9CG1211[O], 8[C], 3[N],
GLU9CD1011[O], 7[C], 2[N],
GLU9OE11311[O], 10[C], 2[N],
LEU11CD1313[C],
LEU11CD21011[O], 1[N], 8[C],
LEU11CG717[C],
THR12CG2313[C],
THR12OG11318[C], 3[N], 2[O],
VAL30CG1913[O], 2[N], 4[C],
VAL30CG2412[O], 1[N], 1[C],
THR31OG1211[N], 1[O],
GLU32CG714[C], 2[N], 1[O],
GLU32CD311[O], 1[C], 1[N],
GLU32OE2411[N], 2[C], 1[O],
GLU32OE1111[O],
PHE33CD21312[O], 4[N], 7[C],
PHE33CD1612[N], 3[C], 1[O],
PHE33CE21317[C], 4[N], 2[O],
PHE33CE1412[C], 1[N], 1[O],
PHE33CG913[N], 4[C], 2[O],
PHE33CZ512[N], 2[C], 1[O],
GLN68CG812[N], 4[C], 2[O],
GLN68CD1113[O], 4[N], 4[C],
GLN68NE21316[C], 4[N], 3[O],
GLN68OE11413[O], 7[C], 4[N],
LEU70CD1713[C], 2[N], 2[O],
LEU70CG512[C], 1[N], 2[O],
ASP93OD1111[O],
ASP93CG311[N], 1[C], 1[O],
ASP93OD2612[C], 2[N], 2[O],
ASN95CG1115[C], 4[N], 2[O],
ASN95OD1912[O], 4[C], 3[N],
ASN95ND21518[C], 4[N], 3[O],
CYS98SG1212[O], 6[C], 4[N],
PRO99CD1214[N], 8[C],
PRO99CG311[N], 2[C],
LYS139CG1413[O], 3[N], 8[C],
LYS139CE2214[N], 12[C], 6[O],
LYS139NZ26114[C], 4[N], 1[P], 7[O],
LYS139CD1814[O], 4[N], 10[C],
ARG141CD211[O], 1[C],
ARG141NE1212[N], 8[C], 2[O],
ARG141CZ1212[O], 8[C], 2[N],
ARG141CG511[O], 4[C],
THR166CG2512[C], 3[O],
HIS168CE12017[O], 1[P], 10[C], 2[N],
HIS168CG1717[O], 1[P], 2[N], 7[C],
HIS168ND12019[C], 2[N], 8[O], 1[P],
HIS168CD21415[C], 1[N], 7[O], 1[P],
HIS168NE21611[N], 7[C], 1[P], 7[O],
ARG170CZ1013[C], 6[O], 1[P],
ARG170CD211[O], 1[C],
ARG170CG111[C],
ARG170NE913[C], 5[O], 1[P],
TYR176CE12214[O], 3[N], 15[C],
TYR176CE22613[N], 15[C], 1[P], 7[O],
TYR176CD11612[O], 13[C], 1[N],
TYR176CG1815[O], 1[P], 11[C], 1[N],
TYR176CD223114[C], 1[N], 1[P], 7[O],
TYR176CZ25115[C], 3[N], 6[O], 1[P],
TYR181CE2111[O],
TYR181CD2111[O],
TYR181CD1513[O], 1[P], 1[C],
TYR181CZ411[P], 2[O], 1[C],
TYR181CG111[O],
TYR181CE1511[C], 1[P], 3[O],
TRP182NE1111[O],
TRP182CZ2111[O],
ASN199OD12019[C], 2[N], 8[O], 1[P],
ASN199CG1517[O], 1[P], 2[N], 5[C],
ASN199ND21511[P], 7[O], 5[C], 2[N],
GLU201OE1514[O], 1[P],
GLU201CG614[O], 1[P], 1[C],
GLU201CD611[C], 1[P], 4[O],
GLU201OE2815[O], 1[P], 2[C],
ILE202CD1411[P], 3[O],
ILE202CG2312[O], 1[P],
ILE202CG1411[P], 3[O],
TRP203CE2514[O], 1[P],
TRP203CE3411[P], 3[O],
TRP203NE1411[P], 3[O],
TRP203CG413[O], 1[P],
TRP203CZ3615[O], 1[P],
TRP203CD1312[O], 1[P],
TRP203CZ2711[C], 1[P], 5[O],
TRP203CD2413[O], 1[P],
MET221CE713[C], 1[N], 3[O],
MET221CG1215[C], 6[O], 1[P],
MET221SD1616[O], 1[P], 7[C], 2[N],
ILE222CG1413[O], 1[P],
ILE222CD1111[O],
ILE222CG2511[P], 4[O],
ARG224NE1911[N], 11[C], 6[O], 1[P],
ARG224CG21113[C], 1[N], 1[P], 6[O],
ARG224CZ1416[O], 1[P], 7[C],
ARG224CD2015[O], 1[P], 13[C], 1[N],
LEU232CD2111[O],
GLN274NE2111[C],
GLN274OE1313[C],
GLN274CD212[C],
GLN274CG111[C],
MET278CE311[O], 2[C],
MET278SD312[C], 1[O],
Total = 109



Download csv file of statistical distribution of contacts