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: GNP_A_2(4LBW) / Model_52(4LBW/A) = [9.6] Download599.0815.56MAKAKFERNKPHVNVGTIGHVDHGKTTLTAAIATICAKTYGGEAKDYSQIDSAPEEKARGITINTSHVEYDSPTRHYAHVDCPGHADYVKNMITGAAQMDGAILVCAATDGPMPQTREHILLSRQVGVPYIIVFLNKCDLVDDEELLELVEMEVRELLSTYDFPGDDTPVIRGSALAALNGEAGPYGEESVLALVAALDSYIPEPERAIDKAFLMPIEDVFSISGRGTVVTGRVEAGIIKVGEEVEIVGIKDTVKTTVTGVEMFRKLLDEGRAGENCGILLRGTKREEVQRGQVLAKPGTIKPHTKFDAEVYVLSKEEGGRHTPFLNGYRPQFYFRTTDVTGAIQLKEGVEMVMPGDNVEMSVELIHPIAMDPGLRFAIREGGRTVGAGVVAKVTA
Complex: GDP_A_3(3U2Q) / Model_3(3U2Q/A) = [7.2] Download902.6524.21MAKAKFERNKPHVNVGTIGHVDHGKTTLTAAIATICAKTYGGEAKDYSQIDSAPEEKARGITINTSHVEYDSPTRHYAHVDCPGHADYVKNMITGAAQMDGAILVCAATDGPMPQTREHILLSRQVGVPYIIVFLNKCDLVDDEELLELVEMEVRELLSTYDFPGDDTPVIRGSALAALNGEAGPYGEESVLALVAALDSYIPEPERAIDKAFLMPIEDVFSISGRGTVVTGRVEAGIIKVGEEVEIVGIKDTVKTTVTGVEMFRKLLDEGRAGENCGILLRGTKREEVQRGQVLAKPGTIKPHTKFDAEVYVLSKEEGGRHTPFLNGYRPQFYFRTTDVTGAIQLKEGVEMVMPGDNVEMSVELIHPIAMDPGLRFAIREGGRTVGAGVVAKVTA
Consensus
[pKd Mean = 8.40]		-750
(s=151)		19
(s=4)		MAKAKFERNKPHVNVGTIGHVDHGKTTLTAAIATICAKTYGGEAKDYSQIDSAPEEKARGITINTSHVEYDSPTRHYAHVDCPGHADYVKNMITGAAQMDGAILVCAATDGPMPQTREHILLSRQVGVPYIIVFLNKCDLVDDEELLELVEMEVRELLSTYDFPGDDTPVIRGSALAALNGEAGPYGEESVLALVAALDSYIPEPERAIDKAFLMPIEDVFSISGRGTVVTGRVEAGIIKVGEEVEIVGIKDTVKTTVTGVEMFRKLLDEGRAGENCGILLRGTKREEVQRGQVLAKPGTIKPHTKFDAEVYVLSKEEGGRHTPFLNGYRPQFYFRTTDVTGAIQLKEGVEMVMPGDNVEMSVELIHPIAMDPGLRFAIREGGRTVGAGVVAKVTA



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]
GLY19C323[O],
GLY19O323[O],
HIS20CA121[O],
HIS20C622[P], 4[O],
HIS20O1026[O], 3[P], 1[N],
VAL21C1321[N], 3[P], 9[O],
VAL21CG2621[P], 1[N], 4[O],
VAL21CA1123[P], 1[N], 7[O],
VAL21CB724[O], 1[N], 2[P],
VAL21CG1423[O], 1[P],
VAL21N721[N], 2[P], 4[O],
VAL21O821[N], 2[P], 5[O],
ASP22CB23212[O], 5[C], 5[P], 1[N],
ASP22CG22211[O], 6[C], 4[P], 1[N],
ASP22OD21822[P], 6[C], 10[O],
ASP22OD12325[C], 1[N], 4[P], 13[O],
ASP22O27211[O], 4[P], 2[N], 10[C],
ASP22C2621[N], 5[P], 4[C], 16[O],
ASP22N22214[O], 2[C], 1[N], 5[P],
ASP22CA27217[O], 1[N], 5[P], 4[C],
HIS23O1822[P], 3[N], 5[C], 8[O],
HIS23CA1521[N], 3[P], 2[C], 9[O],
HIS23CG222[O],
HIS23N23213[O], 4[C], 5[P], 1[N],
HIS23ND1121[O],
HIS23CB423[O], 1[P],
HIS23C26213[O], 4[N], 4[P], 5[C],
GLY24O20211[O], 2[N], 4[P], 3[C],
GLY24CA35215[O], 11[C], 4[P], 5[N],
GLY24C24213[O], 4[P], 3[N], 4[C],
GLY24N3024[P], 5[N], 6[C], 15[O],
LYS25C1524[P], 11[O],
LYS25N21214[O], 1[N], 5[P], 1[C],
LYS25CE1421[N], 3[P], 10[O],
LYS25CB16211[O], 4[P], 1[N],
LYS25CG1321[N], 3[P], 9[O],
LYS25NZ1421[N], 3[P], 10[O],
LYS25O722[P], 5[O],
LYS25CA16211[O], 4[P], 1[N],
LYS25CD1121[N], 3[P], 7[O],
THR26CA1624[P], 12[O],
THR26CB1821[N], 4[P], 13[O],
THR26O621[P], 5[O],
THR26C1324[P], 9[O],
THR26OG119213[O], 1[N], 5[P],
THR26CG2922[P], 7[O],
THR26N19214[O], 4[P], 1[N],
THR27N1723[C], 4[P], 10[O],
THR27OG137216[C], 4[N], 2[P], 15[O],
THR27O121[O],
THR27CG22627[O], 4[N], 2[P], 13[C],
THR27CB30211[O], 13[C], 4[N], 2[P],
THR27CA1522[P], 3[N], 3[C], 7[O],
THR27C522[N], 1[C], 2[O],
LEU28N422[O], 1[C], 1[N],
TYR47CE21428[O], 2[P], 4[C],
TYR47CD2222[O],
TYR47CE120211[O], 2[P], 7[C],
TYR47CG525[O],
TYR47CD11227[O], 3[C], 2[P],
TYR47CZ20211[O], 7[C], 2[P],
ASP51CG323[O],
ASP51OD1922[P], 7[O],
ASP51CB121[O],
ASP51OD2821[N], 2[P], 5[O],
GLY60O222[O],
GLY60C121[O],
ILE61N121[O],
ILE61CD1121[O],
ILE61CG2421[N], 1[P], 2[O],
ILE61O222[O],
ILE61CB521[N], 1[P], 3[O],
ILE61CA421[N], 1[P], 2[O],
ILE61C421[N], 1[P], 2[O],
ILE61CG1121[O],
THR62O421[P], 3[O],
THR62CB724[O], 2[P], 1[N],
THR62CA521[P], 1[N], 3[O],
THR62N621[N], 1[P], 4[O],
THR62CG2322[O], 1[P],
THR62C322[O], 1[P],
THR62OG1822[P], 1[N], 5[O],
ASP81OD2323[O],
ASP81OD1424[O],
ASP81CG323[O],
CYS82C322[O], 1[P],
CYS82O726[O], 1[P],
PRO83CB423[O], 1[P],
PRO83N322[O], 1[P],
PRO83CA521[P], 4[O],
PRO83O624[O], 2[P],
PRO83C524[O], 1[P],
GLY84O121[O],
GLY84N621[N], 1[P], 4[O],
GLY84CA621[N], 1[P], 4[O],
GLY84C423[O], 1[P],
HIS85CA222[O],
HIS85CB222[O],
HIS85N423[O], 1[P],
VAL105CG1222[O],
VAL105CB121[O],
VAL105O121[O],
ASN136ND222211[C], 7[N], 4[O],
ASN136CG1626[N], 8[C], 2[O],
ASN136CA521[N], 2[C], 2[O],
ASN136O222[O],
ASN136C822[O], 2[N], 4[C],
ASN136OD11525[N], 8[C], 2[O],
ASN136CB822[N], 4[C], 2[O],
LYS137CD26212[C], 10[N], 4[O],
LYS137NZ21212[C], 6[N], 3[O],
LYS137CE3025[O], 15[C], 10[N],
LYS137CG2524[O], 10[N], 11[C],
LYS137N1327[C], 4[N], 2[O],
LYS137CB1822[O], 8[N], 8[C],
LYS137O823[N], 3[C], 2[O],
LYS137C924[C], 3[N], 2[O],
LYS137CA1828[N], 8[C], 2[O],
CYS138C121[O],
CYS138CA121[O],
CYS138N622[O], 2[N], 2[C],
ASP139CB1024[C], 4[N], 2[O],
ASP139N522[O], 1[C], 2[N],
ASP139CA423[N], 1[O],
ASP139OD11722[O], 7[N], 8[C],
ASP139C222[N],
ASP139OD21628[C], 6[N], 2[O],
ASP139CG1422[O], 6[C], 6[N],
LEU140CG1121[O], 6[N], 4[C],
LEU140CA121[N],
LEU140CB624[N], 2[C],
LEU140CD11226[N], 5[C], 1[O],
LEU140CD2822[C], 6[N],
LEU140N521[O], 4[N],
GLY173C222[O],
GLY173O422[C], 2[O],
SER174OG1828[C], 8[N], 2[O],
SER174CA1024[N], 4[C], 2[O],
SER174C1022[O], 4[C], 4[N],
SER174O622[O], 1[N], 3[C],
SER174N422[C], 2[O],
SER174CB1022[O], 5[C], 3[N],
ALA175O621[O], 3[N], 2[C],
ALA175N1322[O], 7[C], 4[N],
ALA175CA1022[O], 2[N], 6[C],
ALA175CB1126[C], 3[N], 2[O],
ALA175C1327[C], 4[N], 2[O],
LEU176CG28214[C], 10[N], 4[O],
LEU176C822[N], 4[C], 2[O],
LEU176CD12423[O], 13[C], 8[N],
LEU176CD22023[O], 7[N], 10[C],
LEU176CB28214[C], 10[N], 4[O],
LEU176N2022[O], 8[N], 10[C],
LEU176CA2022[O], 8[N], 10[C],
ALA177N822[N], 4[C], 2[O],
ALA177CA121[O],
Total = 156



Download csv file of statistical distribution of contacts