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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: POP_A_5(1PGN) / Model_15(1PGN/A) = [4.3] Download694.16-0.15MRIPHFHNKIIIFSVLINVKDTRRVGKNQTKNIFVKSIYKKIFLYNEGIRNGGAIMEIGVIGLGKMGLNLALNLKEHHHKVQGLDISSTAVSQARENDIPAYQEISEFLATFEQKKIIWLMLPAGEITENMLRKLFPKLGPGDIIIEGGNSYYKDSIRRAEEFQKNEIGYLDCGTSGGIEGARHQACLMIGGDKETFLSVEQLFKDVAIERGYLYAGASGSGHFLKMIHNGIEYGMMQAIGEGFQLVQKSEYAFDLEQVARVWNHGSVIRGWLMEIMEDQLNEHPNLSNYRGIVSASGEAKWTVETALEMAVPVPVIATSLFMRNLSQEEDSFSAKVVSALRNGFGGHEIVEKGE
Complex: GLO_A_3(2ZYD) / Model_29(2ZYD/B) = [3.4] Download719.395.94MRIPHFHNKIIIFSVLINVKDTRRVGKNQTKNIFVKSIYKKIFLYNEGIRNGGAIMEIGVIGLGKMGLNLALNLKEHHHKVQGLDISSTAVSQARENDIPAYQEISEFLATFEQKKIIWLMLPAGEITENMLRKLFPKLGPGDIIIEGGNSYYKDSIRRAEEFQKNEIGYLDCGTSGGIEGARHQACLMIGGDKETFLSVEQLFKDVAIERGYLYAGASGSGHFLKMIHNGIEYGMMQAIGEGFQLVQKSEYAFDLEQVARVWNHGSVIRGWLMEIMEDQLNEHPNLSNYRGIVSASGEAKWTVETALEMAVPVPVIATSLFMRNLSQEEDSFSAKVVSALRNGFGGHEIVEKGE
Complex: 6PG_A_3(3FWN) / Model_9(3FWN/A) = [3.3] Download736.465.94MRIPHFHNKIIIFSVLINVKDTRRVGKNQTKNIFVKSIYKKIFLYNEGIRNGGAIMEIGVIGLGKMGLNLALNLKEHHHKVQGLDISSTAVSQARENDIPAYQEISEFLATFEQKKIIWLMLPAGEITENMLRKLFPKLGPGDIIIEGGNSYYKDSIRRAEEFQKNEIGYLDCGTSGGIEGARHQACLMIGGDKETFLSVEQLFKDVAIERGYLYAGASGSGHFLKMIHNGIEYGMMQAIGEGFQLVQKSEYAFDLEQVARVWNHGSVIRGWLMEIMEDQLNEHPNLSNYRGIVSASGEAKWTVETALEMAVPVPVIATSLFMRNLSQEEDSFSAKVVSALRNGFGGHEIVEKGE
Consensus
[pKd Mean = 3.67]		-716
(s=17)		3
(s=3)		MRIPHFHNKIIIFSVLINVKDTRRVGKNQTKNIFVKSIYKKIFLYNEGIRNGGAIMEIGVIGLGKMGLNLALNLKEHHHKVQGLDISSTAVSQARENDIPAYQEISEFLATFEQKKIIWLMLPAGEITENMLRKLFPKLGPGDIIIEGGNSYYKDSIRRAEEFQKNEIGYLDCGTSGGIEGARHQACLMIGGDKETFLSVEQLFKDVAIERGYLYAGASGSGHFLKMIHNGIEYGMMQAIGEGFQLVQKSEYAFDLEQVARVWNHGSVIRGWLMEIMEDQLNEHPNLSNYRGIVSASGEAKWTVETALEMAVPVPVIATSLFMRNLSQEEDSFSAKVVSALRNGFGGHEIVEKGE



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]
MET66CE20312[O], 2[P], 6[C],
MET66CG1237[O], 1[P], 4[C],
MET66SD18312[O], 2[P], 4[C],
ASN150CG29310[C], 17[O], 2[P],
ASN150OD133310[C], 3[P], 20[O],
ASN150ND231311[C], 18[O], 2[P],
THR175OG1433[O], 1[P],
THR175CG2931[C], 1[P], 7[O],
SER176OG2437[C], 2[P], 15[O],
ILE179CD1131[O],
ILE179CG1232[O],
MET189CE631[C], 1[P], 4[O],
MET189SD232[O],
LYS226CG1632[P], 11[O], 3[C],
LYS226NZ30318[O], 2[P], 10[C],
LYS226CD1935[C], 2[P], 12[O],
LYS226CE2839[C], 17[O], 2[P],
HIS229CD22432[P], 14[O], 8[C],
HIS229CG1432[P], 9[O], 3[C],
HIS229ND11131[P], 8[O], 2[C],
HIS229NE22539[C], 14[O], 2[P],
HIS229CE11439[O], 2[P], 3[C],
ASN230OD137312[C], 22[O], 3[P],
ASN230ND238312[C], 23[O], 3[P],
ASN230CG37312[C], 22[O], 3[P],
GLU233OE237312[C], 3[P], 22[O],
GLU233CG32312[C], 3[P], 17[O],
GLU233CD37312[C], 3[P], 22[O],
GLU233OE137312[C], 3[P], 22[O],
TYR234CD21331[P], 7[O], 5[C],
TYR234CG1335[C], 1[P], 7[O],
TYR234CE21335[C], 7[O], 1[P],
TYR234CD11937[C], 1[P], 11[O],
TYR234CE127311[C], 1[P], 15[O],
TYR234CZ19311[O], 1[P], 7[C],
MET237CE1336[C], 6[O], 1[P],
MET237CG431[C], 3[O],
MET237SD1435[O], 1[P], 8[C],
SER295OG1238[O], 1[P], 3[C],
SER297OG26310[C], 14[O], 2[P],
GLU299CG27310[C], 2[P], 15[O],
GLU299OE131311[C], 2[P], 18[O],
GLU299CD3232[P], 18[O], 12[C],
GLU299OE23333[P], 18[O], 12[C],
LEU321CD1131[O],
ARG324CG433[O], 1[C],
ARG324CD932[C], 1[P], 6[O],
ARG324CZ1435[C], 8[O], 1[P],
ARG324NE1234[C], 7[O], 1[P],
Total = 49



Download csv file of statistical distribution of contacts