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: FAD_A_3(5K2O) / Model_11(5K2O/A) = [13.3] Download480.5725.26MELLSGGEMLVRALADEGVEHVFGYPGGAVLHIYDALFQQDKINHYLVRHEQAAGHMADAYSRATGKTGVVLVTSGPGATNTVTPIATAYMDSIPMVVLSGQVASHLIGEDAFQETDMVGISRPIVKHSFQVRHASEIPAIIKKAFYIASSGRPGPVVVDIPKDATNPAEKFAYEYPEKVKMRSYQPPSRGHSGQIRKAIDELLTAKRPVIYTGGGVVQGNASALLTELAHLLGYPVTNTLMGLGGFPGDDPQFIGMLGMHGTYEANMAMHHADVILAIGARFDDRVTNNPAKFCPNSKVIHVDIDPATISKTIMAHIPIVGAVEPVLQEMLAQLKQLNVSKPNPEAIAAWWSQINEWRKVHGLKYENPSDGTMKPQQVVETLYKVTNGDAIITSDVGQHQMFGALYYKYKRPRQWINSGGLGTMGVGLPYAMAAKLAFPDQQVVCITGEASIQMCIQELSTCKQYGLNVKILCLNNRALGMVKQWQDMNYEGRHSSSYVESLPDFAKLMEAYGHVGIQINHADELESKLAEAMAINDKCVFINVMVDRSEHVYPMQVAGQSMRDMWISKGERI
Complex: 6QK_A_4(5K2O) / Model_11(5K2O/A) = [4.2] Download1023.5243.38MELLSGGEMLVRALADEGVEHVFGYPGGAVLHIYDALFQQDKINHYLVRHEQAAGHMADAYSRATGKTGVVLVTSGPGATNTVTPIATAYMDSIPMVVLSGQVASHLIGEDAFQETDMVGISRPIVKHSFQVRHASEIPAIIKKAFYIASSGRPGPVVVDIPKDATNPAEKFAYEYPEKVKMRSYQPPSRGHSGQIRKAIDELLTAKRPVIYTGGGVVQGNASALLTELAHLLGYPVTNTLMGLGGFPGDDPQFIGMLGMHGTYEANMAMHHADVILAIGARFDDRVTNNPAKFCPNSKVIHVDIDPATISKTIMAHIPIVGAVEPVLQEMLAQLKQLNVSKPNPEAIAAWWSQINEWRKVHGLKYENPSDGTMKPQQVVETLYKVTNGDAIITSDVGQHQMFGALYYKYKRPRQWINSGGLGTMGVGLPYAMAAKLAFPDQQVVCITGEASIQMCIQELSTCKQYGLNVKILCLNNRALGMVKQWQDMNYEGRHSSSYVESLPDFAKLMEAYGHVGIQINHADELESKLAEAMAINDKCVFINVMVDRSEHVYPMQVAGQSMRDMWISKGERI
Consensus
[pKd Mean = 8.75]		-752
(s=271)		34
(s=9)		MELLSGGEMLVRALADEGVEHVFGYPGGAVLHIYDALFQQDKINHYLVRHEQAAGHMADAYSRATGKTGVVLVTSGPGATNTVTPIATAYMDSIPMVVLSGQVASHLIGEDAFQETDMVGISRPIVKHSFQVRHASEIPAIIKKAFYIASSGRPGPVVVDIPKDATNPAEKFAYEYPEKVKMRSYQPPSRGHSGQIRKAIDELLTAKRPVIYTGGGVVQGNASALLTELAHLLGYPVTNTLMGLGGFPGDDPQFIGMLGMHGTYEANMAMHHADVILAIGARFDDRVTNNPAKFCPNSKVIHVDIDPATISKTIMAHIPIVGAVEPVLQEMLAQLKQLNVSKPNPEAIAAWWSQINEWRKVHGLKYENPSDGTMKPQQVVETLYKVTNGDAIITSDVGQHQMFGALYYKYKRPRQWINSGGLGTMGVGLPYAMAAKLAFPDQQVVCITGEASIQMCIQELSTCKQYGLNVKILCLNNRALGMVKQWQDMNYEGRHSSSYVESLPDFAKLMEAYGHVGIQINHADELESKLAEAMAINDKCVFINVMVDRSEHVYPMQVAGQSMRDMWISKGERI



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]
MET91C121[O],
MET91O521[P], 4[O],
ASP92CA421[P], 3[O],
ASP92CG222[O],
ASP92OD1521[C], 3[O], 1[P],
ASP92O521[P], 3[O], 1[C],
ASP92CB121[O],
ASP92C423[O], 1[P],
ASP92OD2121[O],
ASP92N121[O],
SER93OG1226[C], 1[P], 5[O],
SER93CB923[O], 1[P], 5[C],
SER93N222[O],
SER93CA121[O],
GLY152C121[N],
GLY152O523[C], 2[N],
ARG153CG824[C], 2[O], 2[N],
ARG153CA623[C], 1[O], 2[N],
ARG153NE1126[C], 4[O], 1[N],
ARG153CZ924[O], 5[C],
ARG153CB622[N], 1[O], 3[C],
ARG153CD825[C], 2[O], 1[N],
ARG153N221[N], 1[C],
ARG153C121[C],
PRO154CD422[C], 2[N],
PRO154N221[C], 1[N],
PRO154CG221[C], 1[N],
TYR212CE1222[O],
TYR212CZ121[O],
THR213O121[O],
THR213C121[O],
GLY214O222[O],
GLY214N221[O], 1[P],
GLY214C1022[P], 6[O], 2[C],
GLY214CA725[O], 2[P],
GLY215CA1122[P], 7[O], 2[C],
GLY215N1222[P], 8[O], 2[C],
GLY215O1226[C], 1[P], 2[N], 3[O],
GLY215C1422[N], 1[P], 5[O], 6[C],
GLY216C1421[O], 5[N], 8[C],
GLY216CA18210[C], 3[O], 5[N],
GLY216O1226[C], 1[O], 5[N],
GLY216N1829[C], 5[O], 1[P], 3[N],
VAL217N1024[C], 1[O], 5[N],
ASN221ND2121[N],
ASN239C221[C], 1[O],
ASN239O321[C], 1[N], 1[O],
THR240CG21121[N], 1[P], 6[O], 3[C],
THR240CA1022[N], 1[P], 5[O], 2[C],
THR240C924[O], 2[N], 3[C],
THR240OG11327[O], 2[P], 1[N], 3[C],
THR240O421[C], 1[N], 2[O],
THR240CB1223[C], 6[O], 2[N], 1[P],
THR240N322[O], 1[C],
LEU241CD11229[C], 1[O], 2[N],
LEU241CA1223[O], 3[N], 6[C],
LEU241CD21224[N], 8[C],
LEU241C824[C], 1[N], 3[O],
LEU241CG2022[O], 4[N], 14[C],
LEU241CB2025[O], 4[N], 11[C],
LEU241N1528[C], 3[N], 4[O],
MET242SD924[C], 4[O], 1[P],
MET242C423[O], 1[P],
MET242CG1625[C], 2[P], 9[O],
MET242CE524[O], 1[P],
MET242N1326[O], 1[N], 1[P], 5[C],
MET242CB1422[P], 9[O], 3[C],
MET242CA822[C], 4[O], 2[P],
MET242O222[O],
GLY243CA121[O],
GLY243N423[O], 1[P],
MET257CB321[N], 1[O], 1[C],
MET257SD922[O], 3[N], 4[C],
MET257C121[N],
MET257CG722[N], 2[O], 3[C],
MET257CE521[O], 2[N], 2[C],
LEU258O822[O], 2[N], 4[C],
LEU258N321[C], 1[O], 1[N],
LEU258CA321[C], 1[N], 1[O],
LEU258CD2321[C], 1[N], 1[O],
LEU258CB121[O],
LEU258CG321[N], 1[O], 1[C],
LEU258C522[O], 1[N], 2[C],
GLY259O321[O], 1[N], 1[C],
GLY259C521[O], 1[N], 3[C],
GLY259CA723[C], 2[N], 2[O],
GLY259N522[O], 1[N], 2[C],
MET260SD925[C], 2[N], 2[O],
MET260CB824[C], 2[N], 2[O],
MET260N721[O], 2[N], 4[C],
MET260C522[N], 1[O], 2[C],
MET260O121[O],
MET260CG623[C], 1[N], 2[O],
MET260CA521[O], 2[N], 2[C],
MET260CE621[N], 2[O], 3[C],
HIS261CA522[C], 2[N], 1[O],
HIS261ND1121[O],
HIS261CD2927[C], 1[O], 1[N],
HIS261C321[O], 1[N], 1[C],
HIS261N522[C], 2[N], 1[O],
HIS261CB421[N], 1[O], 2[C],
HIS261CG422[C], 1[N], 1[O],
HIS261O221[O], 1[C],
HIS261NE2421[N], 3[C],
GLY262CA321[C], 1[O], 1[N],
GLY262N321[O], 1[N], 1[C],
ILE279O121[O],
ILE279C221[O], 1[N],
ILE279CG2121[C],
GLY280O1927[C], 2[P], 2[N], 8[O],
GLY280N821[O], 3[N], 4[C],
GLY280C1928[C], 2[N], 2[P], 7[O],
GLY280CA16210[C], 4[N], 2[O],
ALA281CB621[P], 4[O], 1[C],
ALA281N1522[N], 1[P], 6[O], 6[C],
ALA281O1221[P], 6[O], 5[C],
ALA281C1326[O], 2[P], 5[C],
ALA281CA1327[O], 2[P], 4[C],
ARG282NE1729[O], 2[P], 6[C],
ARG282CZ1324[C], 2[P], 7[O],
ARG282CG1528[O], 2[P], 5[C],
ARG282CB1422[P], 7[O], 5[C],
ARG282C421[P], 3[O],
ARG282O121[O],
ARG282CD1322[P], 7[O], 4[C],
ARG282N1428[O], 2[P], 4[C],
ARG282CA925[O], 2[P], 2[C],
PHE283C121[O],
PHE283N322[O], 1[P],
PHE283CA121[O],
ASP284O121[O],
ASP284OD1624[C], 2[O],
ASP284CG825[C], 3[O],
ASP284C121[O],
ASP284N322[O], 1[C],
ASP284OD21227[C], 2[N], 3[O],
ASP284CB1024[C], 5[O], 1[P],
ASP284CA523[C], 2[O],
ASP285OD2421[O], 3[C],
ASP285CG121[C],
ARG286CD1823[N], 3[O], 12[C],
ARG286CB2124[N], 4[O], 13[C],
ARG286O1124[C], 4[N], 3[O],
ARG286CG18212[C], 3[O], 3[N],
ARG286C1225[C], 3[O], 4[N],
ARG286NE1821[S], 12[C], 2[N], 2[O],
ARG286N321[C], 2[O],
ARG286CZ16210[C], 1[S], 3[O], 1[N],
ARG286CA1225[C], 3[O], 4[N],
VAL287CB622[N], 2[O], 2[C],
VAL287CG21528[C], 2[N], 5[O],
VAL287N924[C], 3[O], 2[N],
VAL287CA722[C], 3[O], 2[N],
VAL287CG1421[C], 2[O], 1[N],
HIS302NE2121[O],
VAL303CB121[C],
VAL303C322[N], 1[C],
VAL303CG1322[N], 1[C],
VAL303CA121[C],
VAL303O622[N], 1[O], 3[C],
ASP304OD21322[N], 3[O], 8[C],
ASP304CB1023[O], 2[N], 5[C],
ASP304O422[C], 2[N],
ASP304OD11328[C], 3[O], 2[N],
ASP304N422[N], 2[C],
ASP304CG1227[C], 3[O], 2[N],
ASP304CA1123[N], 3[O], 5[C],
ASP304C923[N], 1[O], 5[C],
ILE305CG1925[N], 4[C],
ILE305O121[O],
ILE305CD1924[N], 5[C],
ILE305CG21427[C], 5[N], 2[O],
ILE305N1322[O], 4[N], 7[C],
ILE305C821[O], 2[N], 5[C],
ILE305CB1327[C], 5[N], 1[O],
ILE305CA1327[C], 1[O], 5[N],
ASP306CG121[O],
ASP306N824[C], 2[N], 2[O],
ASP306CA221[C], 1[O],
ASP306O121[O],
ASP306CB523[C], 2[O],
ASP306OD2121[O],
ASP306C121[O],
ASP306OD1121[O],
THR309CA121[O],
THR309CB422[C], 2[O],
THR309CG2523[C], 2[O],
THR309OG1523[C], 2[O],
GLY322C523[N], 2[C],
GLY322CA221[N], 1[C],
GLY322O723[N], 4[C],
GLY322N121[C],
ALA323CA623[N], 3[C],
ALA323C523[N], 2[C],
ALA323CB422[N], 2[C],
ALA323O221[N], 1[C],
ALA323N522[C], 3[N],
VAL324CG1724[C], 3[N],
VAL324CB724[C], 3[N],
VAL324CG2322[N], 1[C],
VAL324CA522[C], 3[N],
VAL324C321[N], 2[C],
VAL324N723[N], 4[C],
GLU325CB121[N],
GLU325N422[C], 2[N],
GLU325CD121[N],
GLU325OE1121[N],
GLU325CG121[N],
VAL397CG2121[C],
VAL397CA222[C],
VAL397CG1424[C],
VAL397C121[C],
VAL397CB222[C],
GLY398C121[C],
GLY398O222[C],
GLY398CA121[C],
GLY398N323[C],
GLN401CD727[C],
GLN401CG424[C],
GLN401NE2727[C],
GLN401CB121[C],
GLN401OE1828[C],
MET402CE1322[N], 11[C],
MET402SD13210[C], 2[N], 1[O],
MET402CG524[C], 1[N],
ASN418ND2323[C],
SER419CA121[C],
SER419O626[C],
SER419C423[C], 1[O],
GLY420N725[C], 2[O],
GLY420C1121[N], 2[O], 8[C],
GLY420O1422[O], 1[N], 11[C],
GLY420CA1121[N], 2[O], 8[C],
GLY421C422[C], 2[O],
GLY421O321[C], 2[O],
GLY421CA624[C], 2[O],
GLY421N926[C], 3[O],
LEU422O121[C],
LEU422C121[C],
GLY423C121[C],
GLY423CA323[C],
GLY423O121[C],
GLY423N222[C],
THR424N121[C],
MET482C321[O], 2[C],
MET482O322[C], 1[O],
MET482CE321[O], 2[C],
MET482CA221[O], 1[C],
MET482CG826[C], 1[N], 1[O],
MET482CB521[O], 4[C],
MET482SD625[C], 1[O],
VAL483CG2221[C], 1[O],
VAL483C221[C], 1[O],
VAL483O121[C],
VAL483CG1121[C],
VAL483CB221[C], 1[O],
VAL483CA221[C], 1[O],
VAL483N321[O], 2[C],
TRP486CZ21524[O], 2[N], 8[C], 1[S],
TRP486CZ31421[S], 8[C], 2[N], 3[O],
TRP486CB422[C], 1[N], 1[O],
TRP486CE21121[S], 6[C], 2[N], 2[O],
TRP486CA221[C], 1[O],
TRP486NE11026[C], 2[N], 2[O],
TRP486CD1721[O], 1[N], 5[C],
TRP486CE31226[C], 1[S], 3[O], 2[N],
TRP486N221[O], 1[C],
TRP486CG621[O], 1[N], 4[C],
TRP486CD2922[N], 1[O], 1[S], 5[C],
ALA559CB522[O], 3[C],
ALA559CA321[C], 2[O],
ALA559N121[O],
ALA559C121[O],
GLY560N121[O],
Total = 274



Download csv file of statistical distribution of contacts