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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: COZ_B_2(2G2Z) / Model_7(2G2Z/A) = [3.7] Download1599.6735.97MTKTAFLFAGQGAQYLGMGRDFYDQYPIVKETIDRASQVLGYDLRYLIDTEEDKLNQTRYTQPAILATSVAIYRLLQEKGYQPDMVAGLSLGEYSALVASGALDFEDAVALVAKRGAYMEEAAPADSGKMVAVLNTPVEVIEEACQKASELGVVTPANYNTPAQIVIAGEVVAVDRAVELLQEAGAKRLIPLKVSGPFHTSLLEPASQKLAETLAQVSFSDFTCPLVGNTEAAVMQKEDIAQLLTRQVKEPVRFYESIGVMQEAGISNFIEIGPGKVLSGFVKKIDQTAHLAHVEDQASLVALLEK
Complex: GLY_A_2(3TQE) / Model_14(3TQE/A) = [3.2] Download4785.1438.02MTKTAFLFAGQGAQYLGMGRDFYDQYPIVKETIDRASQVLGYDLRYLIDTEEDKLNQTRYTQPAILATSVAIYRLLQEKGYQPDMVAGLSLGEYSALVASGALDFEDAVALVAKRGAYMEEAAPADSGKMVAVLNTPVEVIEEACQKASELGVVTPANYNTPAQIVIAGEVVAVDRAVELLQEAGAKRLIPLKVSGPFHTSLLEPASQKLAETLAQVSFSDFTCPLVGNTEAAVMQKEDIAQLLTRQVKEPVRFYESIGVMQEAGISNFIEIGPGKVLSGFVKKIDQTAHLAHVEDQASLVALLEK
Complex: MLA_C_3(2G2Z) / Model_7(2G2Z/A) = [3.1] Download264.0348.13MTKTAFLFAGQGAQYLGMGRDFYDQYPIVKETIDRASQVLGYDLRYLIDTEEDKLNQTRYTQPAILATSVAIYRLLQEKGYQPDMVAGLSLGEYSALVASGALDFEDAVALVAKRGAYMEEAAPADSGKMVAVLNTPVEVIEEACQKASELGVVTPANYNTPAQIVIAGEVVAVDRAVELLQEAGAKRLIPLKVSGPFHTSLLEPASQKLAETLAQVSFSDFTCPLVGNTEAAVMQKEDIAQLLTRQVKEPVRFYESIGVMQEAGISNFIEIGPGKVLSGFVKKIDQTAHLAHVEDQASLVALLEK
Consensus
[pKd Mean = 3.33]		-2216
(s=1896)		40
(s=5)		MTKTAFLFAGQGAQYLGMGRDFYDQYPIVKETIDRASQVLGYDLRYLIDTEEDKLNQTRYTQPAILATSVAIYRLLQEKGYQPDMVAGLSLGEYSALVASGALDFEDAVALVAKRGAYMEEAAPADSGKMVAVLNTPVEVIEEACQKASELGVVTPANYNTPAQIVIAGEVVAVDRAVELLQEAGAKRLIPLKVSGPFHTSLLEPASQKLAETLAQVSFSDFTCPLVGNTEAAVMQKEDIAQLLTRQVKEPVRFYESIGVMQEAGISNFIEIGPGKVLSGFVKKIDQTAHLAHVEDQASLVALLEK



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]
GLN11OE11331[N], 4[O], 7[C], 1[S],
GLN11CG1736[O], 8[C], 1[S], 2[N],
GLN11NE21431[S], 5[O], 7[C], 1[N],
GLN11CD1531[S], 7[C], 5[O], 2[N],
GLN14NE2131[C],
GLN14CD131[C],
GLN14OE1332[C], 1[S],
THR58CG2532[O], 3[C],
THR58OG1633[O], 3[C],
THR61CG2432[C], 2[O],
GLN62OE11035[C], 5[O],
GLN62CG1035[C], 5[O],
GLN62CD1131[N], 5[O], 5[C],
GLN62NE21131[N], 5[C], 5[O],
ILE65CG1131[O],
ILE65CD1532[O], 3[C],
ILE65CG2131[O],
LEU89CG1533[O], 9[C], 3[N],
LEU89CD11032[O], 6[C], 2[N],
LEU89CD217310[C], 4[O], 3[N],
SER90OG1636[O], 8[C], 2[N],
LEU91CD1934[O], 5[C],
LEU91CG1035[C], 5[O],
LEU91CD21035[O], 5[C],
TYR94CG131[O],
TYR94CE2131[O],
TYR94CE1432[C], 2[O],
TYR94CZ131[O],
TYR94CD1533[O], 2[C],
TYR94CD2131[O],
VAL112CG1131[O],
ARG115CZ1131[N], 5[O], 5[C],
ARG115NE1035[C], 5[O],
ARG115CG733[C], 4[O],
ARG115CD734[O], 3[C],
MET119SD1131[N], 5[C], 5[O],
MET119CG834[O], 4[C],
MET119CE1135[O], 5[C], 1[N],
MET130CE1632[N], 1[S], 8[C], 5[O],
MET130SD1631[S], 9[C], 4[O], 2[N],
MET130CG831[O], 4[C], 1[S], 2[N],
LEU134CD23339[O], 16[C], 2[P], 6[N],
LEU134CG2735[N], 9[O], 13[C],
LEU134CD13134[N], 3[P], 11[O], 13[C],
ASN135CG1134[N], 1[O], 6[C],
ASN135ND2731[O], 4[C], 2[N],
ASN135OD11136[C], 1[O], 4[N],
ASN158CG1731[S], 9[C], 4[O], 3[N],
ASN158ND220311[C], 5[O], 1[S], 3[N],
ASN158OD11732[N], 5[O], 10[C],
ASN160CG1332[N], 3[O], 8[C],
ASN160OD11132[N], 6[C], 3[O],
ASN160ND21834[O], 11[C], 1[S], 2[N],
THR161OG11135[C], 1[O], 5[N],
THR161CG2633[N], 2[C], 1[O],
PRO162CD432[C], 2[N],
PRO162CG331[C], 2[N],
GLN164OE12731[P], 5[N], 13[C], 7[O], 1[S],
GLN164CD2938[O], 14[C], 6[N], 1[P],
GLN164CG2536[N], 5[O], 14[C],
GLN164NE233310[O], 15[C], 6[N], 2[P],
VAL166CG21531[S], 8[C], 3[O], 3[N],
VAL166CG11033[N], 1[S], 1[O], 5[C],
LYS187CE1035[O], 3[C], 1[P], 1[N],
LYS187CG1633[N], 1[P], 6[C], 6[O],
LYS187CD1532[N], 1[P], 6[C], 6[O],
LYS187NZ835[O], 2[C], 1[P],
ARG188NE1837[C], 8[O], 1[P], 2[N],
ARG188CD2032[N], 1[P], 8[O], 9[C],
ARG188CZ1932[N], 2[P], 8[O], 7[C],
ARG188CG1335[C], 5[O], 2[N], 1[P],
ILE190CG1331[O], 2[C],
ILE190CD11331[N], 3[O], 9[C],
ILE190CG2131[C],
LEU192CD217311[C], 3[O], 1[S], 2[N],
LEU192CD11431[S], 2[O], 8[C], 3[N],
LEU192CG1332[N], 8[C], 2[O], 1[S],
VAL194CG1631[N], 1[S], 4[C],
VAL194CG2831[O], 4[C], 1[S], 2[N],
PHE198CE21437[C], 5[O], 1[S], 1[N],
PHE198CZ1331[N], 7[C], 5[O],
PHE198CG1337[C], 5[O], 1[N],
PHE198CD21632[N], 7[C], 6[O], 1[S],
PHE198CD11135[O], 5[C], 1[N],
PHE198CE11131[N], 5[O], 5[C],
HIS199CD21135[O], 5[C], 1[N],
HIS199CG1235[C], 6[O], 1[N],
HIS199NE21236[C], 5[O], 1[N],
HIS199ND11638[C], 6[O], 2[N],
HIS199CE11638[C], 6[O], 2[N],
LEU203CD2532[C], 3[O],
LEU203CG433[O], 1[C],
LEU203CD1934[O], 4[C], 1[N],
ASN229CG131[C],
ASN229ND2834[O], 4[C],
GLN247CD935[O], 4[C],
GLN247OE11035[O], 5[C],
GLN247NE2935[O], 4[C],
GLN247CG934[C], 5[O],
VAL248CG1431[C], 3[O],
VAL248CG2431[C], 3[O],
VAL252CG1432[O], 1[C], 1[N],
VAL252CG21231[N], 6[O], 5[C],
LYS276CD131[O],
LYS276CE332[O], 1[P],
LYS276NZ531[P], 4[O],
VAL277CG11935[O], 11[C], 1[P], 2[N],
VAL277CG21831[P], 2[N], 5[O], 10[C],
LEU278CD2832[N], 4[C], 2[O],
PHE281CD12337[O], 11[C], 2[P], 3[N],
PHE281CZ2133[N], 1[P], 10[C], 7[O],
PHE281CE12735[N], 2[P], 9[O], 11[C],
PHE281CD21635[O], 9[C], 2[N],
PHE281CG1831[P], 3[N], 5[O], 9[C],
PHE281CE21732[N], 1[P], 5[O], 9[C],
LYS284NZ3332[P], 5[N], 15[C], 11[O],
LYS284CG1634[O], 6[C], 1[P], 5[N],
LYS284CE30311[O], 12[C], 2[P], 5[N],
LYS284CD2535[N], 2[P], 8[O], 10[C],
ILE285CG1131[N],
Total = 120



Download csv file of statistical distribution of contacts