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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: BCD_A_4(1Z0N) / Model_35(1Z0N/A) = [5.8] Download1940.3941.67MGNTSSERAALERHGGHKTPRRDSSGGTKDGDRPKILMDSPEDADLFHSEEIKAPEKEEFLAWQHDLEVNDKAPAQARPTVFRWTGGGKEVYLSGSFNNWSKLPLTRSHNNFVAILDLPEGEHQYKFFVDGQWTHDPSEPIVTSQLGTVNNIIQVKKTDFEVFDALMVDSQKCSDVSELSSSPPGPYHQEPYVCKPEERFRAPPILPPHLLQVILNKDTGISCDPALLPEPNHVMLNHLYALSIKDGVMVLSATHRYKKKYVTTLLYKPI
Complex: 4CQ_B_10(4YEF) / Model_39(4YEF/B) = [5.0] Download1708.3336.69MGNTSSERAALERHGGHKTPRRDSSGGTKDGDRPKILMDSPEDADLFHSEEIKAPEKEEFLAWQHDLEVNDKAPAQARPTVFRWTGGGKEVYLSGSFNNWSKLPLTRSHNNFVAILDLPEGEHQYKFFVDGQWTHDPSEPIVTSQLGTVNNIIQVKKTDFEVFDALMVDSQKCSDVSELSSSPPGPYHQEPYVCKPEERFRAPPILPPHLLQVILNKDTGISCDPALLPEPNHVMLNHLYALSIKDGVMVLSATHRYKKKYVTTLLYKPI
Consensus
[pKd Mean = 5.40]		-1824
(s=116)		39
(s=2)		MGNTSSERAALERHGGHKTPRRDSSGGTKDGDRPKILMDSPEDADLFHSEEIKAPEKEEFLAWQHDLEVNDKAPAQARPTVFRWTGGGKEVYLSGSFNNWSKLPLTRSHNNFVAILDLPEGEHQYKFFVDGQWTHDPSEPIVTSQLGTVNNIIQVKKTDFEVFDALMVDSQKCSDVSELSSSPPGPYHQEPYVCKPEERFRAPPILPPHLLQVILNKDTGISCDPALLPEPNHVMLNHLYALSIKDGVMVLSATHRYKKKYVTTLLYKPI



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]
SER94OG2629[O], 17[C],
TRP100CD148226[C], 22[O],
TRP100CZ244220[O], 24[C],
TRP100CE248227[C], 21[O],
TRP100CZ342218[O], 24[C],
TRP100CE345226[C], 19[O],
TRP100CD251219[O], 32[C],
TRP100NE147225[C], 22[O],
TRP100CG49220[O], 29[C],
LYS102NZ1326[C], 7[O],
LYS102CE723[C], 4[O],
GLN124CG521[C], 4[O],
GLN124NE2923[C], 6[O],
GLN124CD1929[O], 10[C],
GLN124OE122212[C], 10[O],
LYS126CG31218[C], 13[O],
LYS126CE36218[O], 18[C],
LYS126NZ40218[O], 22[C],
LYS126CD38216[O], 22[C],
PHE128CD114211[C], 3[O],
PHE128CE11229[C], 3[O],
TRP133CZ245219[O], 26[C],
TRP133CD146221[O], 25[C],
TRP133CE249230[C], 19[O],
TRP133NE149222[O], 27[C],
TRP133CE343219[O], 24[C],
TRP133CG44219[O], 25[C],
TRP133CZ344220[O], 24[C],
TRP133CD248220[O], 28[C],
HIS135ND1121[O],
VAL142CG1222[O],
THR143CG2121[O],
SER144OG63235[C], 28[O],
GLN145NE223212[O], 11[C],
GLN145OE128215[C], 13[O],
GLN145CD30213[O], 17[C],
GLN145CG30213[O], 17[C],
LEU146CD1144264[O], 80[C],
LEU146CG154284[C], 70[O],
LEU146CD2154270[O], 84[C],
THR148CG295253[C], 42[O],
THR148OG177235[O], 42[C],
VAL149CG1424[O],
VAL149CG2626[O],
ASN150ND240218[O], 22[C],
ASN150CG33214[O], 19[C],
ASN150OD140224[C], 16[O],
Total = 47



Download csv file of statistical distribution of contacts