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: PLG_A_2(4HF8) / Model_6(4HF8/A) = [4.9] Download764.2917.44MRKPGNIYTRITNPTTAALEGGVEALATASGMTAVTYTILALAHAGEHVVAASTIYGGTFNLLKEPLPRYGITTTFVDVDNLEEVEAAIKDNTKLVLIETLGNPLINIPDLEKLAEIAHKHQIPLVSDNTFATPYLINVFSHGVDIAIHSATKFIGGHGTTIGGIIVDSGRFDWTASGKFPQFVDESPSCHNLSYTHDVGAAAFIIAVRVQLLRDTGAALSPFNAFLLLQRLETLSLRVERHVQNAETIVDFLVNHPKVEKVNYPKLADSPYYALAEKYLPKGVGSIFTFHVKGDEEEARKVIDNLEIFSDLANAADAKSLVVHPATITHGQLSEKDLEAAGVTPNQIHLSIGLENVEDLIEDLRLALEKI
Complex: PY6_A_5(5M3Z) / Model_5(5M3Z/A) = [4.2] Download982.6120.74MRKPGNIYTRITNPTTAALEGGVEALATASGMTAVTYTILALAHAGEHVVAASTIYGGTFNLLKEPLPRYGITTTFVDVDNLEEVEAAIKDNTKLVLIETLGNPLINIPDLEKLAEIAHKHQIPLVSDNTFATPYLINVFSHGVDIAIHSATKFIGGHGTTIGGIIVDSGRFDWTASGKFPQFVDESPSCHNLSYTHDVGAAAFIIAVRVQLLRDTGAALSPFNAFLLLQRLETLSLRVERHVQNAETIVDFLVNHPKVEKVNYPKLADSPYYALAEKYLPKGVGSIFTFHVKGDEEEARKVIDNLEIFSDLANAADAKSLVVHPATITHGQLSEKDLEAAGVTPNQIHLSIGLENVEDLIEDLRLALEKI
Consensus
[pKd Mean = 4.55]		-873
(s=109)		19
(s=1)		MRKPGNIYTRITNPTTAALEGGVEALATASGMTAVTYTILALAHAGEHVVAASTIYGGTFNLLKEPLPRYGITTTFVDVDNLEEVEAAIKDNTKLVLIETLGNPLINIPDLEKLAEIAHKHQIPLVSDNTFATPYLINVFSHGVDIAIHSATKFIGGHGTTIGGIIVDSGRFDWTASGKFPQFVDESPSCHNLSYTHDVGAAAFIIAVRVQLLRDTGAALSPFNAFLLLQRLETLSLRVERHVQNAETIVDFLVNHPKVEKVNYPKLADSPYYALAEKYLPKGVGSIFTFHVKGDEEEARKVIDNLEIFSDLANAADAKSLVVHPATITHGQLSEKDLEAAGVTPNQIHLSIGLENVEDLIEDLRLALEKI



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]
THR28OG1424[O],
SER30OG1422[P], 4[C], 8[O],
MET32CE1222[P], 6[O], 4[C],
MET32CG2824[N], 8[O], 14[C], 2[P],
MET32SD2322[P], 1[N], 12[C], 8[O],
THR33OG1826[O], 2[P],
THR33CG2622[P], 4[O],
VAL35CG22022[N], 4[O], 14[C],
VAL35CG1422[C], 2[N],
ILE55CG2421[N], 3[C],
TYR56CG42212[O], 24[C], 4[N], 2[P],
TYR56CZ44224[C], 14[O], 4[N], 2[P],
TYR56CD142224[C], 12[O], 4[N], 2[P],
TYR56CD24424[N], 14[O], 24[C], 2[P],
TYR56CE24424[N], 14[O], 24[C], 2[P],
TYR56CE14324[N], 13[O], 24[C], 2[P],
THR59CG21129[C], 2[N],
THR59OG126216[C], 6[O], 4[N],
GLU99CG1622[N], 12[C], 2[O],
GLU99CD1823[N], 2[O], 13[C],
GLU99OE12224[N], 2[O], 16[C],
GLU99OE222214[C], 4[O], 4[N],
ASN103ND22022[N], 6[O], 12[C],
ASN103OD12426[O], 15[C], 3[N],
ASN103CG2323[N], 14[C], 6[O],
PRO104CD121[O],
ASP128CG2224[O], 16[C], 2[N],
ASP128OD22424[O], 16[C], 4[N],
ASP128OD12222[N], 16[C], 4[O],
THR130OG12826[O], 16[C], 4[N], 2[P],
THR130CG23522[P], 9[O], 20[C], 4[N],
PHE131CZ24214[C], 6[O], 4[N],
PHE131CD21027[C], 3[O],
PHE131CD12826[O], 18[C], 4[N],
PHE131CG1523[N], 4[O], 8[C],
PHE131CE21522[N], 8[C], 5[O],
PHE131CE12824[N], 18[C], 6[O],
ILE148CG2624[C], 1[O], 1[N],
ILE148CD1625[C], 1[N],
ILE148CG1521[N], 4[C],
SER150OG3722[P], 4[N], 10[O], 21[C],
THR152OG12722[P], 2[N], 8[O], 15[C],
THR152CG22528[O], 13[C], 2[N], 2[P],
LYS153CE4424[N], 24[C], 14[O], 2[P],
LYS153CD41213[O], 22[C], 4[N], 2[P],
LYS153CG4024[N], 22[C], 12[O], 2[P],
LYS153NZ4422[P], 24[C], 14[O], 4[N],
ILE162CG11028[O], 2[P],
ILE162CD11328[O], 3[C], 2[P],
ILE162CG21222[P], 8[O], 2[C],
LEU312CG221[C], 1[O],
LEU312CD2121[O],
LEU312CD1121[C],
ASN314CG2522[N], 12[C], 9[O], 2[P],
ASN314ND21922[N], 6[O], 10[C], 1[P],
ASN314OD136214[O], 18[C], 2[N], 2[P],
LEU321CD1222[O],
VAL323CG2421[C], 3[O],
VAL323CG1624[O], 2[C],
THR329CG2523[C], 2[O],
HIS349CE1121[O],
HIS349ND1322[O], 1[C],
HIS349CG121[O],
Total = 63



Download csv file of statistical distribution of contacts