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: BGC_A_4(3VGL) / Model_47(3VGL/A) = [3.3] Download422.051.88MDKKIIGIDLGGTTAKFAILTPEGEIQQKWSIDTNILDDGKHIVPEIIESINHRLNLYNMKAEDFIGIGMGTPGSVDSEAGTVIGAYNLNWTEVQFVKKLIEAGTGIKFAIDNDANVAALGERWKGAGENDPDVVFVTLGTGVGGGIVAGGNLIHGVSGAGGEIGHITVDPEGFECTCGKRGCLETVSSATGVVRLGRFLAEEYAGDSKLKAMLDNGEEVTSKDIFEMAQEDDPFALMVVDRVCFYLGLACGNLGNTLNPSSIVLGGGVSAAGEFLRSRVEKYFKEFTFPQVRESTKIKLAELGNEAGVIGAASLALKFA
Consensus
[pKd Mean = 3.30]		-422
(s=0)		1
(s=0)		MDKKIIGIDLGGTTAKFAILTPEGEIQQKWSIDTNILDDGKHIVPEIIESINHRLNLYNMKAEDFIGIGMGTPGSVDSEAGTVIGAYNLNWTEVQFVKKLIEAGTGIKFAIDNDANVAALGERWKGAGENDPDVVFVTLGTGVGGGIVAGGNLIHGVSGAGGEIGHITVDPEGFECTCGKRGCLETVSSATGVVRLGRFLAEEYAGDSKLKAMLDNGEEVTSKDIFEMAQEDDPFALMVVDRVCFYLGLACGNLGNTLNPSSIVLGGGVSAAGEFLRSRVEKYFKEFTFPQVRESTKIKLAELGNEAGVIGAASLALKFA



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]
ASP9OD2111[O],
ASP9CG111[O],
ASP9OD1211[C], 1[O],
THR72OG1312[O], 1[C],
PRO73CG1216[O], 6[C],
PRO73CD914[O], 5[C],
SER75OG312[O], 1[C],
VAL76CG2111[O],
VAL83CG1111[O],
TYR87CG914[O], 5[C],
TYR87CZ613[C], 3[O],
TYR87CD2914[O], 5[C],
TYR87CE2713[C], 4[O],
TYR87CD1713[C], 4[O],
TYR87CE1613[C], 3[O],
ASN88ND21116[C], 5[O],
ASN88OD1513[O], 2[C],
ASN88CG1016[C], 4[O],
LEU89CG111[O],
LEU89CD1412[C], 2[O],
TRP91CZ3111[O],
TRP91CE3111[O],
ASN113CG1115[O], 6[C],
ASN113OD11115[O], 6[C],
ASN113ND21216[C], 6[O],
ASP114OD11216[O], 6[C],
ASP114CG1216[C], 6[O],
ASP114OD21216[O], 6[C],
ASN116ND2111[O],
ASN116CG212[O],
ASN116OD1212[O],
PHE136CE2211[C], 1[O],
THR138CG2513[C], 2[O],
THR138OG11016[C], 4[O],
THR141CG2613[O], 3[C],
THR141OG1312[O], 1[C],
VAL143CG2513[C], 2[O],
VAL143CG1714[C], 3[O],
GLU163OE11216[C], 6[O],
GLU163CG1015[O], 5[C],
GLU163CD1216[C], 6[O],
GLU163OE21216[C], 6[O],
HIS166CG915[C], 4[O],
HIS166CD21015[C], 5[O],
HIS166CE1914[O], 5[C],
HIS166ND1814[O], 4[C],
HIS166NE21216[C], 6[O],
CYS176SG311[C], 2[O],
THR177OG1512[C], 3[O],
THR177CG2111[O],
CYS178SG212[O],
GLU185OE21014[O], 6[C],
GLU185CG813[O], 5[C],
GLU185OE11216[O], 6[C],
GLU185CD1216[C], 6[O],
Total = 55



Download csv file of statistical distribution of contacts