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: FNR_A_5(4N02) / Model_3(4N02/A) = [10.5] Download909.1916.09MNRKDEHVSLAKAFHDKQKNEFDFVRIIHNPLPQIAVSDVDLSTQAVGFTLSSPFYINAMTGGSEKTKKINQDLAIVAREADLMIATGSVSAALKVPSLADTYTIMRQEYPHGKIIANIGAGTSVERAKEAIRLFHADALQIHLNAPQELVMPEGDRDFTNWKVLIQETQTAIDVPLIVKEVGFGMTRETLNDLAALGVHTVDISGRSGTSFTQIENARRSKRELSYLADWGQSTVSSLLEANEADTSMEILASGGIRNAYDIFKALCLGANAVGTSGTVLTHLMNHGVEETIILMKQWQEELRLLYTMVGATNTAALHQQSLIFSGPVKDWCEARGIDLVKYGRRTEKSVGQK
Complex: FMN_M_13(1P0N) / Model_22(1P0N/B) = [6.6] Download1326.3113.08MNRKDEHVSLAKAFHDKQKNEFDFVRIIHNPLPQIAVSDVDLSTQAVGFTLSSPFYINAMTGGSEKTKKINQDLAIVAREADLMIATGSVSAALKVPSLADTYTIMRQEYPHGKIIANIGAGTSVERAKEAIRLFHADALQIHLNAPQELVMPEGDRDFTNWKVLIQETQTAIDVPLIVKEVGFGMTRETLNDLAALGVHTVDISGRSGTSFTQIENARRSKRELSYLADWGQSTVSSLLEANEADTSMEILASGGIRNAYDIFKALCLGANAVGTSGTVLTHLMNHGVEETIILMKQWQEELRLLYTMVGATNTAALHQQSLIFSGPVKDWCEARGIDLVKYGRRTEKSVGQK
Consensus
[pKd Mean = 8.55]		-1117
(s=208)		14
(s=1)		MNRKDEHVSLAKAFHDKQKNEFDFVRIIHNPLPQIAVSDVDLSTQAVGFTLSSPFYINAMTGGSEKTKKINQDLAIVAREADLMIATGSVSAALKVPSLADTYTIMRQEYPHGKIIANIGAGTSVERAKEAIRLFHADALQIHLNAPQELVMPEGDRDFTNWKVLIQETQTAIDVPLIVKEVGFGMTRETLNDLAALGVHTVDISGRSGTSFTQIENARRSKRELSYLADWGQSTVSSLLEANEADTSMEILASGGIRNAYDIFKALCLGANAVGTSGTVLTHLMNHGVEETIILMKQWQEELRLLYTMVGATNTAALHQQSLIFSGPVKDWCEARGIDLVKYGRRTEKSVGQK



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]
LYS4CG221[C], 1[O],
LYS4CE624[C], 1[O], 1[N],
LYS4CD821[O], 1[N], 6[C],
LYS4NZ825[C], 1[O], 2[N],
HIS7CD2928[C], 1[N],
HIS7CE113210[C], 1[O], 2[N],
HIS7NE2726[C], 1[N],
HIS7CG14211[C], 1[O], 2[N],
HIS7ND11523[N], 1[O], 11[C],
VAL8CG2821[N], 7[C],
VAL8CG1525[C],
HIS15CD2121[O],
LYS17CD121[O],
ASN20OD1121[O],
ASN20ND2323[O],
ASN20CG121[O],
PHE55CZ121[O],
PHE55CE1121[O],
TYR56CE2121[O],
TYR56CE1121[O],
ASN58CG4126[N], 13[O], 20[C], 2[P],
ASN58OD13626[N], 13[O], 16[C], 1[P],
ASN58ND236212[O], 5[N], 1[P], 18[C],
MET60CE4024[N], 11[O], 1[P], 24[C],
MET60SD4422[P], 29[C], 4[N], 9[O],
MET60CG5422[P], 33[C], 7[N], 12[O],
THR61CG219214[C], 1[O], 4[N],
THR61OG128219[C], 5[N], 4[O],
THR67CG2222[C],
ILE70CG2121[C],
THR87OG1622[C], 2[N], 2[O],
SER89OG1424[N], 4[O], 6[C],
VAL90CG1121[O],
TYR103CE2222[O],
TYR103CZ222[O],
ASN118OD124211[C], 5[O], 8[N],
ASN118CG24210[C], 6[O], 8[N],
ASN118ND230215[C], 8[N], 7[O],
GLN141NE21727[C], 4[N], 6[O],
GLN141CG822[C], 3[N], 3[O],
GLN141CD1424[N], 5[O], 5[C],
GLN141OE11928[C], 6[O], 5[N],
HIS143CG22210[C], 8[N], 4[O],
HIS143CD21724[O], 5[N], 8[C],
HIS143CE12129[C], 4[O], 8[N],
HIS143ND12425[O], 8[N], 11[C],
HIS143NE21928[C], 7[N], 4[O],
ASN145OD1121[O],
ASN145CG521[O], 2[N], 2[C],
ASN145ND21023[N], 2[O], 5[C],
GLN148CD1227[C], 1[O], 4[N],
GLN148NE21421[O], 4[N], 9[C],
GLN148OE11322[O], 4[N], 7[C],
LYS180CD2926[N], 6[O], 17[C],
LYS180NZ46225[C], 1[P], 8[N], 12[O],
LYS180CG2425[N], 7[O], 12[C],
LYS180CE40211[O], 7[N], 22[C],
GLU181OE2221[C], 1[O],
GLU181CG121[O],
GLU181CD121[O],
VAL182CG143224[C], 8[N], 11[O],
VAL182CG23227[N], 8[O], 17[C],
ASP203OD11326[O], 1[N], 6[C],
ASP203CG926[O], 3[C],
ASP203OD21025[C], 5[O],
SER205OG32213[O], 3[N], 1[P], 15[C],
SER208OG523[O], 1[C], 1[P],
THR210CG224214[C], 1[P], 2[N], 7[O],
THR210OG12221[P], 13[C], 1[N], 7[O],
PHE212CD22824[N], 7[O], 17[C],
PHE212CG22217[C], 3[N], 2[O],
PHE212CD120215[C], 3[N], 2[O],
PHE212CZ27217[C], 4[N], 6[O],
PHE212CE22924[N], 7[O], 17[C], 1[P],
PHE212CE12324[N], 3[O], 16[C],
ILE215CG1626[C],
ILE215CD114210[C], 2[O], 2[N],
ILE215CG2424[C],
THR235OG1422[O], 1[P], 1[C],
SER254OG27210[C], 2[P], 14[O], 1[N],
ILE257CG2423[O], 1[P],
ILE257CG1822[P], 1[C], 5[O],
ILE257CD1725[O], 2[P],
ARG258CG222[O],
THR276OG11028[O], 2[P],
THR276CG21122[P], 1[C], 8[O],
SER277OG56232[C], 2[P], 15[O], 7[N],
THR279OG11022[P], 8[O],
THR279CG2323[O],
VAL280CG2222[O],
LEU281CG828[C],
LEU281CD1525[C],
LEU281CD21622[O], 14[C],
Total = 93



Download csv file of statistical distribution of contacts