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: APC_A_7(3DAY) / Model_6(3DAY/A) = [8.7] Download989.3620.77MKTLAEAYRQFDLTRLIEEQLVGHPQAINAYVECCERYVGKNKTALIWEGKNGQAEYYTFEQLAELSGKLANFFKAQGIQAGDCIAGLLPRTPELLITILAAWRIGAIYQPLFTAFEAKSIDHRITTAQTKLIVTNDEQRPKLNSLNVPVIVTVHQTGLLSEHDFDFWQSLQRYSEQCEPVNRSVDDDFLMMFTSGTTGLAKSVPVPLKAILAFKGYMTHAVDLREEDMFWNLADPGWAYGLYYGITGPLSLGHSIIMDERSFNVDQAMELIKKYKVSNLTGSPTAFRMFFGFKEKFDPSIKQHLRVVSSAGEPLTPEVVNWFKQDLEVNIFDQYGQTELGMVIANHHALEHPLKVGSAGFAIPGHRFAVLDQNYQELPTGGVGILAMDSEQSPLMWFKGYGGNNRKSFVGKYYLTGDTVTLNEHGGIGFVGRADDVITTSGYRVGPFDVESTLLECEAVLESAVIGKPDPERTEIVKAFVVLKPAYQACETLKDKLQQYVRNRLSRHAYPKEIEFVDSLPKTTSGKIQRGLLKQQEIAKMQPYAS
Complex: ATP_A_7(3C5E) / Model_37(3C5E/A) = [8.4] Download895.0920.77MKTLAEAYRQFDLTRLIEEQLVGHPQAINAYVECCERYVGKNKTALIWEGKNGQAEYYTFEQLAELSGKLANFFKAQGIQAGDCIAGLLPRTPELLITILAAWRIGAIYQPLFTAFEAKSIDHRITTAQTKLIVTNDEQRPKLNSLNVPVIVTVHQTGLLSEHDFDFWQSLQRYSEQCEPVNRSVDDDFLMMFTSGTTGLAKSVPVPLKAILAFKGYMTHAVDLREEDMFWNLADPGWAYGLYYGITGPLSLGHSIIMDERSFNVDQAMELIKKYKVSNLTGSPTAFRMFFGFKEKFDPSIKQHLRVVSSAGEPLTPEVVNWFKQDLEVNIFDQYGQTELGMVIANHHALEHPLKVGSAGFAIPGHRFAVLDQNYQELPTGGVGILAMDSEQSPLMWFKGYGGNNRKSFVGKYYLTGDTVTLNEHGGIGFVGRADDVITTSGYRVGPFDVESTLLECEAVLESAVIGKPDPERTEIVKAFVVLKPAYQACETLKDKLQQYVRNRLSRHAYPKEIEFVDSLPKTTSGKIQRGLLKQQEIAKMQPYAS
Consensus
[pKd Mean = 8.55]		-942
(s=47)		20
(s=0)		MKTLAEAYRQFDLTRLIEEQLVGHPQAINAYVECCERYVGKNKTALIWEGKNGQAEYYTFEQLAELSGKLANFFKAQGIQAGDCIAGLLPRTPELLITILAAWRIGAIYQPLFTAFEAKSIDHRITTAQTKLIVTNDEQRPKLNSLNVPVIVTVHQTGLLSEHDFDFWQSLQRYSEQCEPVNRSVDDDFLMMFTSGTTGLAKSVPVPLKAILAFKGYMTHAVDLREEDMFWNLADPGWAYGLYYGITGPLSLGHSIIMDERSFNVDQAMELIKKYKVSNLTGSPTAFRMFFGFKEKFDPSIKQHLRVVSSAGEPLTPEVVNWFKQDLEVNIFDQYGQTELGMVIANHHALEHPLKVGSAGFAIPGHRFAVLDQNYQELPTGGVGILAMDSEQSPLMWFKGYGGNNRKSFVGKYYLTGDTVTLNEHGGIGFVGRADDVITTSGYRVGPFDVESTLLECEAVLESAVIGKPDPERTEIVKAFVVLKPAYQACETLKDKLQQYVRNRLSRHAYPKEIEFVDSLPKTTSGKIQRGLLKQQEIAKMQPYAS



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]
THR194CA17210[O], 6[P], 1[C],
THR194OG11521[C], 10[O], 4[P],
THR194O921[C], 6[O], 2[P],
THR194CG21921[C], 12[O], 6[P],
THR194CB2126[P], 14[O], 1[C],
THR194C1625[P], 10[O], 1[C],
THR194N424[O],
SER195OG2526[P], 18[O], 1[C],
SER195C1521[C], 10[O], 4[P],
SER195N2421[C], 17[O], 6[P],
SER195O624[O], 2[P],
SER195CA17211[O], 5[P], 1[C],
SER195CB2126[P], 14[O], 1[C],
GLY196C1424[P], 10[O],
GLY196CA1224[P], 8[O],
GLY196N1621[C], 11[O], 4[P],
GLY196O822[P], 6[O],
THR197CB1824[P], 13[O], 1[C],
THR197N1824[P], 13[O], 1[C],
THR197CG21228[O], 4[P],
THR197CA16212[O], 4[P],
THR197OG12121[C], 4[P], 16[O],
THR197C1228[O], 4[P],
THR197O222[O],
THR198CB1028[O], 2[P],
THR198N16212[O], 4[P],
THR198O222[O],
THR198CG214211[O], 3[P],
THR198C622[P], 4[O],
THR198CA922[P], 7[O],
THR198OG112210[O], 2[P],
GLY199N622[P], 4[O],
GLY199O624[O], 2[P],
GLY199CA424[O],
GLY199C424[O],
LEU200C222[O],
LEU200O421[P], 3[O],
ALA201C222[O],
ALA201CB222[O],
ALA201CA222[O],
ALA201N222[O],
LYS202NZ1222[P], 10[O],
LYS202CB323[O],
LYS202CE822[P], 6[O],
LYS202CG524[O], 1[P],
LYS202CD524[O], 1[P],
LYS202N323[O],
LYS202CA121[O],
TRP238CE3121[O],
TYR240CZ221[C], 1[N],
SER310O222[N],
ALA311C1024[N], 6[C],
ALA311CA1024[N], 6[C],
ALA311O222[N],
ALA311CB524[N], 1[C],
ALA311N222[N],
GLY312CA22210[N], 10[C], 2[O],
GLY312C2822[O], 16[C], 10[N],
GLY312N2021[O], 10[N], 9[C],
GLY312O36220[C], 10[N], 6[O],
GLU313N2422[O], 12[C], 10[N],
GLU313CB1426[N], 8[C],
GLU313C20210[N], 10[C],
GLU313O20210[N], 10[C],
GLU313CA24210[N], 12[C], 2[O],
PRO314CG1426[N], 8[C],
PRO314O222[N],
PRO314CA1428[C], 6[N],
PRO314C824[C], 4[N],
PRO314N18210[N], 8[C],
PRO314CD1628[N], 8[C],
PRO314CB1024[C], 6[N],
LEU315N622[C], 4[N],
ASP333OD2824[C], 4[N],
ASP333C222[N],
ASP333CA222[N],
ASP333CB222[N],
ASP333OD1925[N], 4[C],
ASP333CG624[N], 2[C],
GLN334CA222[N],
GLN334O1428[C], 6[N],
GLN334N222[N],
GLN334C824[N], 4[C],
TYR335O222[N],
TYR335CG1929[C], 10[N],
TYR335CA1628[C], 8[N],
TYR335CD2422[C], 2[N],
TYR335CB1628[N], 8[C],
TYR335N1026[C], 4[N],
TYR335CE134218[C], 10[N], 6[O],
TYR335CD132216[C], 10[N], 6[O],
TYR335CZ1724[N], 10[C], 3[O],
TYR335C1026[C], 4[N],
GLY336N16210[C], 6[N],
GLY336O33216[C], 4[N], 11[O], 2[P],
GLY336C2624[N], 14[C], 8[O],
GLY336CA1127[C], 4[N],
GLN337CG1121[P], 4[O], 6[C],
GLN337CB2328[C], 2[P], 13[O],
GLN337NE21426[O], 8[C],
GLN337CA2122[P], 11[O], 8[C],
GLN337CD824[C], 4[O],
GLN337OE1222[O],
GLN337N1626[O], 2[P], 8[C],
GLN337O422[C], 2[O],
GLN337C1022[C], 6[O], 2[P],
THR338OG11227[O], 2[P], 3[C],
THR338CA725[O], 2[P],
THR338C222[O],
THR338N1222[P], 7[O], 3[C],
THR338CG2222[O],
THR338CB821[C], 5[O], 2[P],
GLU339N222[O],
GLU339OE2424[O],
GLU339CD424[O],
GLU339OE11223[C], 2[P], 7[O],
ALA359CA222[N],
ALA359CB622[C], 4[N],
THR416OG1222[O],
THR416CB222[O],
THR416C222[O],
THR416CA222[O],
THR416O422[C], 2[O],
GLY417C222[O],
ASP418OD22426[O], 14[C], 4[N],
ASP418OD11826[O], 8[C], 4[N],
ASP418CG1428[C], 2[N], 4[O],
ASP418N222[O],
ASP418CB824[C], 4[O],
ASP418CA424[O],
PHE430CE21522[O], 5[N], 8[C],
PHE430CZ1822[O], 10[C], 6[N],
PHE430CA422[N], 2[C],
PHE430CB1225[N], 7[C],
PHE430CG1421[O], 9[C], 4[N],
PHE430CD12022[O], 12[C], 6[N],
PHE430CE12424[O], 14[C], 6[N],
PHE430CD21121[O], 4[N], 6[C],
GLY432C121[O],
ARG433CZ2329[C], 2[P], 12[O],
ARG433CG623[O], 3[C],
ARG433CA222[O],
ARG433CB222[O],
ARG433CD1126[O], 5[C],
ARG433NE1526[C], 1[P], 8[O],
ARG433N222[O],
LYS527NZ33215[O], 4[P], 12[C], 2[N],
LYS527CD725[O], 2[P],
LYS527CE2126[C], 12[O], 3[P],
LYS527CG222[O],
LYS527CB222[O],
Total = 151



Download csv file of statistical distribution of contacts