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 :C6_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 C6_S1
Complex: FAD_A_3(2ZXH) / Model_4(2ZXH/A) = [12.4] Download651.9021.52MEHYEADAYDVIVVGAGHAGSEAALAAARMGSKTLLLTINLDMVAFMPCNPSVGGPAKGVVVREIDALGGEMGKNIDKTYIQMRMLNTGKGPAVRALRAQADKHAYSTEMKHTIEKEPNLTLRQGIVEELIVEDGVCHGVVTSTGASYRAKAVVITAGTALRGEIIIGELKYSSGPNNSQPSIGLANHLKELGFAIERFKTGTPPRVKSSTIDYSVTEEQPGDKEPNHFSFSTPDSAYKLDQESCWLTYTGETTHQIIRDNLHRAPMFTGIVEGVGARYCPSIEDKIVRFADKPRHQLFLEPEGLNTEEVYVQGLSTSLPEDVQVNMLHSIAGLEKVEMMRTGYAIEYDVVEPHQLRPTLETKVVENLYTAGQTNGTSGYEEAAGQGLIAGINAALKVQGKEPLVIKRSDGYIGVMIDDLVTKGTNEPYRLLTSRAEYRLLLRHDNADLRLTEMGHRVGLVKEDQYKNYLKKKEAVEQEIKRLMNVRIKPTEEVQDFLATINAAPLKDGVLASDFLRRPEITYAELLRFIPENEELTRKEIEQVEVQIKYEGYIKKAMEKVEKLKRMEAKKIPENIDYAAINGLATEAKQKLQKIQPETIAQASRISGVNPADLSILMVYIEQGKIAKVSEPA
Consensus
[pKd Mean = 12.40]		-651
(s=0)		21
(s=0)		MEHYEADAYDVIVVGAGHAGSEAALAAARMGSKTLLLTINLDMVAFMPCNPSVGGPAKGVVVREIDALGGEMGKNIDKTYIQMRMLNTGKGPAVRALRAQADKHAYSTEMKHTIEKEPNLTLRQGIVEELIVEDGVCHGVVTSTGASYRAKAVVITAGTALRGEIIIGELKYSSGPNNSQPSIGLANHLKELGFAIERFKTGTPPRVKSSTIDYSVTEEQPGDKEPNHFSFSTPDSAYKLDQESCWLTYTGETTHQIIRDNLHRAPMFTGIVEGVGARYCPSIEDKIVRFADKPRHQLFLEPEGLNTEEVYVQGLSTSLPEDVQVNMLHSIAGLEKVEMMRTGYAIEYDVVEPHQLRPTLETKVVENLYTAGQTNGTSGYEEAAGQGLIAGINAALKVQGKEPLVIKRSDGYIGVMIDDLVTKGTNEPYRLLTSRAEYRLLLRHDNADLRLTEMGHRVGLVKEDQYKNYLKKKEAVEQEIKRLMNVRIKPTEEVQDFLATINAAPLKDGVLASDFLRRPEITYAELLRFIPENEELTRKEIEQVEVQIKYEGYIKKAMEKVEKLKRMEAKKIPENIDYAAINGLATEAKQKLQKIQPETIAQASRISGVNPADLSILMVYIEQGKIAKVSEPA



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]
VAL14CG21211[O], 5[N], 6[C],
VAL14CG11712[O], 10[C], 5[N],
HIS18CD21712[P], 10[O], 5[C],
HIS18CG1812[P], 10[O], 6[C],
HIS18NE217110[O], 2[P], 5[C],
HIS18ND12017[C], 11[O], 2[P],
HIS18CE11916[C], 1[N], 10[O], 2[P],
SER21OG212[O],
LEU36CD1312[O], 1[C],
LEU36CG111[O],
LEU37CD2412[N], 2[C],
LEU37CG714[C], 3[N],
LEU37CD1714[C], 3[N],
THR38OG11619[C], 3[N], 4[O],
THR38CG21116[C], 2[N], 3[O],
ILE39CG11815[N], 10[C], 3[O],
ILE39CD11914[O], 10[C], 5[N],
ILE39CG21613[O], 8[C], 5[N],
ASN40CG111[O],
ASN40OD1111[O],
MET43SD111[O],
MET43CG412[C], 2[O],
MET43CE211[O], 1[C],
VAL44CG1111[O],
VAL44CG2312[O], 1[C],
PHE46CE2311[O], 2[C],
PHE46CG313[O],
PHE46CD2611[P], 3[O], 2[C],
MET47CG111[O],
PRO48CG2818[O], 2[P], 3[N], 15[C],
PRO48CD2512[N], 13[C], 8[O], 2[P],
CYS49SG2314[N], 15[C], 4[O],
LYS58CE612[N], 3[C], 1[O],
LYS58NZ912[N], 4[C], 3[O],
LYS58CG211[C], 1[O],
LYS58CD411[O], 2[N], 1[C],
GLN124CG111[O],
GLN124OE1111[O],
ILE126CG11311[O], 5[N], 7[C],
ILE126CD11115[C], 5[N], 1[O],
ILE126CG21211[O], 6[C], 5[N],
VAL127CG2915[N], 4[C],
VAL127CG1814[C], 4[N],
GLU128CD311[C], 2[N],
GLU128CG311[C], 2[N],
GLU128OE2412[C], 2[N],
GLU128OE1312[N], 1[C],
VAL140CG1211[C], 1[N],
THR142CG2211[C], 1[N],
SER143OG212[N],
ILE155CG2711[O], 4[C], 2[N],
THR156CG21012[C], 2[P], 6[O],
THR156OG12319[O], 2[P], 9[C], 3[N],
THR159CG23019[O], 2[P], 3[N], 16[C],
THR159OG12812[P], 9[O], 1[N], 16[C],
LEU161CD2212[N],
LEU161CG513[C], 2[N],
LEU161CD1814[N], 4[C],
ILE165CG2111[C],
ILE165CG1212[C],
ILE165CD1111[C],
PRO176CD912[O], 7[C],
PRO176CG1717[O], 1[P], 9[C],
SER179OG111[O],
SER182OG1417[C], 5[N], 2[O],
LEU185CD1412[N], 2[C],
LEU185CD21015[N], 5[C],
LEU185CG713[N], 4[C],
THR201OG12414[N], 15[C], 5[O],
THR201CG22013[O], 13[C], 4[N],
THR203CG21212[N], 10[C],
THR203OG11511[O], 12[C], 2[N],
PRO204CD917[C], 1[N], 1[O],
MET267CE311[N], 1[C], 1[O],
PRO281CG613[C], 2[N], 1[O],
PRO281CD311[O], 1[C], 1[N],
SER316OG1112[N], 8[C], 1[O],
TYR344CE1717[C],
TYR344CD2717[C],
TYR344CD1515[C],
TYR344CE2818[C],
TYR344CZ818[C],
TYR344CG515[C],
ILE346CD1616[C],
ILE346CG1918[C], 1[O],
ILE346CG21713[O], 12[C], 2[N],
TYR348CD2313[O],
TYR348CE2713[C], 4[O],
TYR348CD1811[O], 7[C],
TYR348CZ1613[O], 11[C], 2[N],
TYR348CG111[O],
TYR348CE11312[N], 9[C], 2[O],
GLN373CD3114[N], 14[C], 2[P], 11[O],
GLN373CG30114[C], 3[N], 2[P], 11[O],
GLN373NE230113[C], 4[N], 2[P], 11[O],
GLN373OE12914[N], 15[C], 9[O], 1[P],
THR374CG21612[N], 4[C], 8[O], 2[P],
THR374OG1411[P], 3[O],
THR377OG1814[O], 1[P], 3[C],
SER378OG2415[O], 4[N], 15[C],
TYR380CE21413[O], 2[N], 9[C],
TYR380CZ1912[N], 12[C], 5[O],
TYR380CG1612[N], 8[C], 6[O],
TYR380CD21312[N], 7[C], 4[O],
TYR380CD12312[P], 9[O], 2[N], 10[C],
TYR380CE12614[N], 13[C], 2[P], 7[O],
GLU381OE2211[O], 1[C],
GLU381OE1712[N], 3[C], 2[O],
GLU381CD311[O], 1[N], 1[C],
GLU381CG111[O],
GLU382OE2612[C], 2[N], 2[O],
GLU382CG412[O], 1[C], 1[N],
GLU382CD511[C], 2[N], 2[O],
GLU382OE1812[O], 2[N], 4[C],
GLN386OE1111[O],
GLN386NE2111[O],
GLN386CD111[O],
PRO428CG412[C], 1[N], 1[O],
ARG430NE712[N], 3[C], 2[O],
ARG430CD612[O], 2[N], 2[C],
ARG430CG712[O], 2[N], 3[C],
ARG430CZ914[C], 3[N], 2[O],
Total = 122



Download csv file of statistical distribution of contacts