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 :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: FAD_B_4(2ZXH) / Model_24(2ZXH/B) = [10.8] Download687.2516.74MIYHFTEEYDIIVIGAGHAGVEASLAASRMGCKVLLATINIEMLAFMPCNPSIGGSAKGIVVREVDALGGEMAKTIDKTYIQMKMLNTGKGPAVRALRAQADKELYSKEMRKTVENQENLTLRQTMIDEILVEDGKAVGVRTATHQEYAAKAVIVTTGTALRGEIIIGDLKYSSGPNHSLASINLADNLKELGLEIGRFKTGTPPRVKASSINYDVTEIQPGDEVPNHFSYTSRDEDYVKDQVPCWLTYTNGTSHEIIQNNLHRAPMFTGVVKGVGPRYCPSIEDKIVRFADKERHQLFLEPEGRNTEEVYVQGLSTSLPEDVQRDLVHSIKGLENAEMMRTGYAIEYDMVLPHQLRATLETKKISGLFTAGQTNGTSGYEEAAGQGIIAGINAALKIQGKPELILKRSDGYIGVMIDDLVTKGTIEPYRLLTSRAEYRLILRHDNADMRLTEMGREIGLVDDERWARFEIKKNQFDNEMKRLDSIKLKPVKETNAKVEEMGFKPLTDAVTAKEFLRRPEVSYQDVVAFIGPAAEELDDKIIELIETEIKYEGYISKAMDQVAKMKRMEEKRIPANIDWDDIDSIATEARQKFKLINPETIGQASRISGVNPADISILMVYLEGKNRSISKTLQKSK
Consensus
[pKd Mean = 10.80]		-687
(s=0)		16
(s=0)		MIYHFTEEYDIIVIGAGHAGVEASLAASRMGCKVLLATINIEMLAFMPCNPSIGGSAKGIVVREVDALGGEMAKTIDKTYIQMKMLNTGKGPAVRALRAQADKELYSKEMRKTVENQENLTLRQTMIDEILVEDGKAVGVRTATHQEYAAKAVIVTTGTALRGEIIIGDLKYSSGPNHSLASINLADNLKELGLEIGRFKTGTPPRVKASSINYDVTEIQPGDEVPNHFSYTSRDEDYVKDQVPCWLTYTNGTSHEIIQNNLHRAPMFTGVVKGVGPRYCPSIEDKIVRFADKERHQLFLEPEGRNTEEVYVQGLSTSLPEDVQRDLVHSIKGLENAEMMRTGYAIEYDMVLPHQLRATLETKKISGLFTAGQTNGTSGYEEAAGQGIIAGINAALKIQGKPELILKRSDGYIGVMIDDLVTKGTIEPYRLLTSRAEYRLILRHDNADMRLTEMGREIGLVDDERWARFEIKKNQFDNEMKRLDSIKLKPVKETNAKVEEMGFKPLTDAVTAKEFLRRPEVSYQDVVAFIGPAAEELDDKIIELIETEIKYEGYISKAMDQVAKMKRMEEKRIPANIDWDDIDSIATEARQKFKLINPETIGQASRISGVNPADISILMVYLEGKNRSISKTLQKSK



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]
VAL13CG1111[O],
ILE14CD1814[C], 4[N],
ILE14CG11015[C], 5[N],
ILE14CG21511[O], 9[C], 5[N],
HIS18CE12012[P], 1[N], 7[C], 10[O],
HIS18ND119110[O], 7[C], 2[P],
HIS18CD21612[P], 5[C], 9[O],
HIS18CG1812[P], 6[C], 10[O],
HIS18NE21715[C], 10[O], 2[P],
VAL21CG2111[O],
LEU36CD2915[C], 3[O], 1[N],
THR38CG21112[N], 6[C], 3[O],
THR38OG11614[O], 9[C], 3[N],
ILE39CG11813[O], 10[C], 5[N],
ILE39CD11915[N], 10[C], 4[O],
ILE39CG21618[C], 3[O], 5[N],
ASN40CG212[O],
ASN40ND2111[O],
ASN40OD1111[O],
MET43CE312[O], 1[C],
MET43SD212[O],
MET43CG412[O], 2[C],
LEU44CG111[O],
LEU44CD1412[O], 2[C],
PHE46CE2512[O], 3[C],
PHE46CD2711[P], 2[C], 4[O],
PHE46CG313[O],
MET47CG211[O], 1[C],
PRO48CG2712[N], 2[P], 8[O], 15[C],
PRO48CD2418[O], 12[C], 2[N], 2[P],
CYS49SG23115[C], 4[O], 4[N],
ASN50CG412[N], 1[C], 1[O],
LYS58CD411[C], 1[O], 2[N],
LYS58NZ812[O], 4[C], 2[N],
LYS58CE612[N], 3[C], 1[O],
LYS58CG211[C], 1[O],
GLN124CG111[O],
THR125OG1311[C], 2[N],
MET126SD1015[C], 5[N],
MET126CE412[C], 2[N],
MET126CG1317[C], 1[O], 5[N],
ILE127CD1714[C], 3[N],
ILE127CG1914[C], 5[N],
ILE127CG2714[C], 3[N],
ASP128OD2111[N],
ASP128CG312[N], 1[C],
ASP128OD1512[N], 3[C],
VAL140CG1111[N],
THR142CG2211[C], 1[N],
VAL155CG1714[C], 3[N],
THR156CG2916[O], 2[C], 1[P],
THR156OG12212[P], 3[N], 8[C], 9[O],
THR157OG12012[P], 5[N], 8[C], 5[O],
THR157CG21815[N], 10[C], 3[O],
THR159CG230116[C], 9[O], 2[P], 3[N],
THR159OG13011[N], 2[P], 9[O], 18[C],
LEU161CD2212[N],
LEU161CD1714[C], 3[N],
LEU161CG512[N], 3[C],
ILE165CG1313[C],
ILE165CD1212[C],
ILE165CG2111[C],
PRO176CD1013[O], 7[C],
PRO176CG1719[C], 7[O], 1[P],
SER179OG211[C], 1[O],
SER182OG1712[O], 10[C], 5[N],
ASN184ND2111[N],
ASN184CG111[N],
LEU185CG613[C], 3[N],
LEU185CD21015[N], 5[C],
LEU185CD1412[C], 2[N],
THR201OG12414[N], 15[C], 5[O],
THR201CG22014[N], 13[C], 3[O],
THR203OG11512[N], 12[C], 1[O],
THR203CG21112[N], 9[C],
PRO204CD917[C], 1[O], 1[N],
MET267CE311[C], 1[O], 1[N],
PRO281CD211[C], 1[O],
PRO281CG512[N], 1[O], 2[C],
TYR311CZ211[N], 1[C],
SER316OG711[O], 4[C], 2[N],
TYR344CG515[C],
TYR344CD2717[C],
TYR344CD1515[C],
TYR344CZ818[C],
TYR344CE1717[C],
TYR344CE2818[C],
ILE346CG21612[N], 2[O], 12[C],
ILE346CG1818[C],
ILE346CD1515[C],
TYR348CG111[O],
TYR348CE2512[C], 3[O],
TYR348CD2212[O],
TYR348CD11018[C], 2[O],
TYR348CE11412[N], 10[C], 2[O],
TYR348CZ1218[C], 2[O], 2[N],
GLN373NE233117[C], 10[O], 2[P], 4[N],
GLN373CD35111[O], 18[C], 4[N], 2[P],
GLN373CG3212[P], 3[N], 16[C], 11[O],
GLN373OE13313[N], 2[P], 10[O], 18[C],
THR374CG21612[N], 2[P], 8[O], 4[C],
THR374OG1413[O], 1[P],
THR377CG21215[O], 5[C], 1[N], 1[P],
SER378OG24115[C], 5[O], 4[N],
TYR380CZ2316[O], 13[C], 4[N],
TYR380CD12512[P], 3[N], 11[C], 9[O],
TYR380CG1713[N], 8[C], 6[O],
TYR380CD21317[C], 4[O], 2[N],
TYR380CE12616[O], 14[C], 4[N], 2[P],
TYR380CE21613[N], 10[C], 3[O],
GLU381OE1712[O], 3[C], 2[N],
GLU381OE2211[O], 1[C],
GLU381CG111[O],
GLU381CD311[C], 1[O], 1[N],
GLU382CD512[N], 1[C], 2[O],
GLU382CG814[C], 2[O], 2[N],
GLU382OE2612[N], 2[O], 2[C],
GLU382OE1411[C], 1[O], 2[N],
GLN386CD111[O],
GLN386NE2111[O],
PRO428CG211[C], 1[O],
ARG430CD511[N], 2[C], 2[O],
ARG430CG713[C], 2[O], 2[N],
ARG430CZ912[O], 4[C], 3[N],
ARG430NE611[N], 2[O], 3[C],
Total = 125



Download csv file of statistical distribution of contacts