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: TLA_B_4(4U8F) / Model_21(4U8F/B) = [3.6] Download685.088.50MKIALINENSQASKNHIIYDSLKEATDKKDYQLFNYGMRGEEGESQLTYVQNGLMAAILLNTKAVDFVVTGCGTGVGAMLALNSFPGVVCGLAVDPTDAYLYSQINGGNALSIPYAKGFGWGAELTLKLMFERLFAEEMGGGYPRERVIPEQRNARILNEVKQITHNDLMTILKTIDQDFLKDTISGKYFQEYFFENCQDDEVAAYLKEVLAK
Consensus
[pKd Mean = 3.60]		-685
(s=0)		8
(s=0)		MKIALINENSQASKNHIIYDSLKEATDKKDYQLFNYGMRGEEGESQLTYVQNGLMAAILLNTKAVDFVVTGCGTGVGAMLALNSFPGVVCGLAVDPTDAYLYSQINGGNALSIPYAKGFGWGAELTLKLMFERLFAEEMGGGYPRERVIPEQRNARILNEVKQITHNDLMTILKTIDQDFLKDTISGKYFQEYFFENCQDDEVAAYLKEVLAK



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]
GLU8OE11016[O], 4[C],
GLU8CD1014[C], 6[O],
GLU8OE21014[C], 6[O],
GLU8CG1016[O], 4[C],
ASN9ND2614[O], 2[C],
ASN9CG513[O], 2[C],
ASN9OD1513[O], 2[C],
SER10OG1014[C], 6[O],
GLN11NE21014[C], 6[O],
GLN11OE1513[O], 2[C],
GLN11CG915[O], 4[C],
GLN11CD814[C], 4[O],
THR48CG2111[O],
TYR49CZ1014[C], 6[O],
TYR49CD1915[O], 4[C],
TYR49CD21014[C], 6[O],
TYR49CE21014[C], 6[O],
TYR49CG1014[C], 6[O],
TYR49CE1815[O], 3[C],
ASN52ND2111[O],
CYS72SG1016[O], 4[C],
THR74CG2914[C], 5[O],
THR74OG1914[C], 5[O],
VAL76CG2311[C], 2[O],
VAL76CG1312[O], 1[C],
LEU80CD1111[O],
SER112OG111[O],
TYR115CD1111[O],
Total = 28



Download csv file of statistical distribution of contacts