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 :C4_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 C4_S1
Complex: 5SP_A_4(3OVR) / Model_13(3OVR/A) = [4.4] Download380.9932.15MKIAPSILSADFANLQRDIELVEKGGADYIHVDVMDGQFVPNITLGPNIVQAIRPVTKLPLDVHLMIVDPENYIPAFAKAGADIITVHVEATPHIHRALQMTKSLGVKAGVVINPGTPVSMIKHVLPLADQVLVMTVNPGFGGQSFIEETVEKITELADLRRENNWTYAIEVDGGIVPETAKICKDAGADVFVAGSYIYGAENPVGQIERLKEALD
Complex: 5RP_A_4(3OVQ) / Model_12(3OVQ/A) = [4.1] Download355.9932.15MKIAPSILSADFANLQRDIELVEKGGADYIHVDVMDGQFVPNITLGPNIVQAIRPVTKLPLDVHLMIVDPENYIPAFAKAGADIITVHVEATPHIHRALQMTKSLGVKAGVVINPGTPVSMIKHVLPLADQVLVMTVNPGFGGQSFIEETVEKITELADLRRENNWTYAIEVDGGIVPETAKICKDAGADVFVAGSYIYGAENPVGQIERLKEALD
Consensus
[pKd Mean = 4.25]		-368
(s=12)		32
(s=0)		MKIAPSILSADFANLQRDIELVEKGGADYIHVDVMDGQFVPNITLGPNIVQAIRPVTKLPLDVHLMIVDPENYIPAFAKAGADIITVHVEATPHIHRALQMTKSLGVKAGVVINPGTPVSMIKHVLPLADQVLVMTVNPGFGGQSFIEETVEKITELADLRRENNWTYAIEVDGGIVPETAKICKDAGADVFVAGSYIYGAENPVGQIERLKEALD



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]
SER6OG28210[C], 16[O], 2[P],
ILE7CD1121[O],
LEU8CD22822[P], 16[O], 10[C],
LEU8CD120210[C], 10[O],
LEU8CG2622[P], 10[C], 14[O],
SER9OG1522[P], 3[C], 10[O],
HIS31CD220210[C], 10[O],
HIS31CE11727[O], 10[C],
HIS31ND11227[C], 5[O],
HIS31NE220210[C], 10[O],
HIS31CG1326[O], 7[C],
ASP33OD120210[O], 10[C],
ASP33OD22722[P], 10[C], 15[O],
ASP33CG20210[C], 10[O],
MET35CG924[O], 5[C],
MET35CE1828[O], 10[C],
MET35SD1227[C], 5[O],
VAL40CG1622[C], 4[O],
VAL40CG2523[O], 2[C],
ASN42ND2422[O], 2[C],
THR44CG2322[O], 1[C],
ASP62OD2121[O],
HIS64CD21226[O], 6[C],
HIS64CG1527[O], 8[C],
HIS64NE21428[C], 6[O],
HIS64ND118210[C], 8[O],
HIS64CE118210[C], 8[O],
MET66CG1226[C], 6[O],
MET66SD1628[C], 8[O],
MET66CE1728[O], 9[C],
HIS88NE2824[O], 4[C],
HIS88CE1424[O],
HIS88CD2424[O],
VAL112CG1222[O],
ASN114OD1222[O],
LEU133CD2824[C], 4[O],
LEU133CG424[O],
LEU133CD1622[C], 4[O],
MET135SD1727[O], 10[C],
MET135CE22210[C], 12[O],
MET135CG924[O], 5[C],
THR136OG11222[P], 4[C], 6[O],
VAL137CG123210[C], 11[O], 2[P],
VAL137CG22822[P], 16[O], 10[C],
ASN138OD1322[O], 1[C],
ASN138CG222[O],
PRO139CD824[C], 4[O],
PRO139CG824[C], 4[O],
PHE141CE2222[O],
PHE141CD1422[O], 2[C],
PHE141CD2422[O], 2[C],
PHE141CG522[C], 3[O],
GLN144NE2725[O], 2[C],
GLN144OE12029[O], 9[C], 2[P],
GLN144CG1622[P], 5[C], 9[O],
GLN144CD1225[O], 7[C],
PHE146CD1222[O],
GLU171CD121[O],
GLU171OE1222[O],
ASP173OD226214[O], 10[C], 2[P],
ASP173OD12822[P], 16[O], 10[C],
ASP173CG27210[C], 15[O], 2[P],
ILE176CG11122[P], 6[O], 3[C],
ILE176CG2222[O],
ILE176CD1922[C], 5[O], 2[P],
VAL177CG1826[O], 2[P],
VAL177CG2222[O],
VAL193CG21628[C], 8[O],
VAL193CG126210[C], 14[O], 2[P],
SER196OG16210[O], 4[C], 2[P],
TYR197CG222[O],
TYR197CD2222[O],
ILE198CG1222[O],
ILE198CD1222[O],
Total = 74



Download csv file of statistical distribution of contacts