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 :C7_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C7_S1
Complex: EPU_A_3(2YVW) / Model_14(2YVW/A) = [7.2] Download1579.6416.37MDKFLITGGVKLEGEVRISGAKNAALPLLAAMILADSPITLTNVPNLKDVNTLVKLIGGLGVTISYENDTVKADTSTLDNQFAPYELVKTMRASILVLGPLLAHYGNAKVSLPGGCAIGSRPVDQHLKALEALGAHIEVENGYVHATVDGRLKGGEVVFDMVTVGGTENILMAAALADGVTTIRNAAREPEITDLAQMLIKMGAKIEGLDTDTLVVTGVESLHGCEYAVVADRIETGSYLAAAAITGGRVKTTHTDPSLLEAVLDKFEEMGAEVTRGDDWIELDMLGKRPKAVSFRTLPHPEFPTDMQAQIMAVNAIGRGFATISETIFENRFMHVPELSRMGANIQVEGHDAVVTGVEKLQAAPVMATDLRASFSLVLAALVAEGDTLIDRIYHIDRGYEHVEEKLQGLGAKIKRVS
Complex: UD1_D_4(1UAE) / Model_5(1UAE/A) = [6.8] Download1366.2714.67MDKFLITGGVKLEGEVRISGAKNAALPLLAAMILADSPITLTNVPNLKDVNTLVKLIGGLGVTISYENDTVKADTSTLDNQFAPYELVKTMRASILVLGPLLAHYGNAKVSLPGGCAIGSRPVDQHLKALEALGAHIEVENGYVHATVDGRLKGGEVVFDMVTVGGTENILMAAALADGVTTIRNAAREPEITDLAQMLIKMGAKIEGLDTDTLVVTGVESLHGCEYAVVADRIETGSYLAAAAITGGRVKTTHTDPSLLEAVLDKFEEMGAEVTRGDDWIELDMLGKRPKAVSFRTLPHPEFPTDMQAQIMAVNAIGRGFATISETIFENRFMHVPELSRMGANIQVEGHDAVVTGVEKLQAAPVMATDLRASFSLVLAALVAEGDTLIDRIYHIDRGYEHVEEKLQGLGAKIKRVS
Complex: 0V5_A_11(5U4H) / Model_1(5U4H/A) = [3.5] Download616.2711.05MDKFLITGGVKLEGEVRISGAKNAALPLLAAMILADSPITLTNVPNLKDVNTLVKLIGGLGVTISYENDTVKADTSTLDNQFAPYELVKTMRASILVLGPLLAHYGNAKVSLPGGCAIGSRPVDQHLKALEALGAHIEVENGYVHATVDGRLKGGEVVFDMVTVGGTENILMAAALADGVTTIRNAAREPEITDLAQMLIKMGAKIEGLDTDTLVVTGVESLHGCEYAVVADRIETGSYLAAAAITGGRVKTTHTDPSLLEAVLDKFEEMGAEVTRGDDWIELDMLGKRPKAVSFRTLPHPEFPTDMQAQIMAVNAIGRGFATISETIFENRFMHVPELSRMGANIQVEGHDAVVTGVEKLQAAPVMATDLRASFSLVLAALVAEGDTLIDRIYHIDRGYEHVEEKLQGLGAKIKRVS
Complex: FCN_G_7(1UAE) / Model_5(1UAE/A) = [3.1] Download403.44-3.82MDKFLITGGVKLEGEVRISGAKNAALPLLAAMILADSPITLTNVPNLKDVNTLVKLIGGLGVTISYENDTVKADTSTLDNQFAPYELVKTMRASILVLGPLLAHYGNAKVSLPGGCAIGSRPVDQHLKALEALGAHIEVENGYVHATVDGRLKGGEVVFDMVTVGGTENILMAAALADGVTTIRNAAREPEITDLAQMLIKMGAKIEGLDTDTLVVTGVESLHGCEYAVVADRIETGSYLAAAAITGGRVKTTHTDPSLLEAVLDKFEEMGAEVTRGDDWIELDMLGKRPKAVSFRTLPHPEFPTDMQAQIMAVNAIGRGFATISETIFENRFMHVPELSRMGANIQVEGHDAVVTGVEKLQAAPVMATDLRASFSLVLAALVAEGDTLIDRIYHIDRGYEHVEEKLQGLGAKIKRVS
Consensus
[pKd Mean = 5.15]
-991
(s=493)
9
(s=7)
MDKFLITGGVKLEGEVRISGAKNAALPLLAAMILADSPITLTNVPNLKDVNTLVKLIGGLGVTISYENDTVKADTSTLDNQFAPYELVKTMRASILVLGPLLAHYGNAKVSLPGGCAIGSRPVDQHLKALEALGAHIEVENGYVHATVDGRLKGGEVVFDMVTVGGTENILMAAALADGVTTIRNAAREPEITDLAQMLIKMGAKIEGLDTDTLVVTGVESLHGCEYAVVADRIETGSYLAAAAITGGRVKTTHTDPSLLEAVLDKFEEMGAEVTRGDDWIELDMLGKRPKAVSFRTLPHPEFPTDMQAQIMAVNAIGRGFATISETIFENRFMHVPELSRMGANIQVEGHDAVVTGVEKLQAAPVMATDLRASFSLVLAALVAEGDTLIDRIYHIDRGYEHVEEKLQGLGAKIKRVS



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]
LYS22CG2242[N], 10[C], 9[O], 1[P],
LYS22NZ39419[C], 2[N], 2[P], 16[O],
LYS22CE29412[O], 1[P], 2[N], 14[C],
LYS22CD2442[N], 11[C], 1[P], 10[O],
ASN23CG45422[C], 2[N], 2[P], 19[O],
ASN23OD142420[C], 2[N], 18[O], 2[P],
ASN23ND247422[C], 2[N], 3[P], 20[O],
LEU26CD21347[C], 1[N], 5[O],
LEU26CG1145[O], 2[N], 4[C],
LEU26CD11648[O], 1[P], 6[C], 1[N],
PRO27CG741[N], 4[C], 2[O],
PRO27CD842[O], 4[C], 2[N],
ASP49CG1645[C], 2[P], 9[O],
ASP49OD11348[O], 2[P], 3[C],
ASP49OD22942[N], 10[C], 2[P], 15[O],
LEU53CD1141[C],
VAL88CG1141[O],
THR90CG2242[O],
MET91CG1444[C], 2[P], 8[O],
MET91SD842[C], 5[O], 1[P],
MET91CE241[C], 1[O],
ARG92CZ38415[C], 3[N], 17[O], 3[P],
ARG92CD45420[O], 5[P], 2[N], 18[C],
ARG92NE46417[C], 3[N], 21[O], 5[P],
ARG92CG48423[O], 5[P], 18[C], 2[N],
SER94OG141[O],
ILE95CG1141[O],
ILE95CD1141[O],
ILE95CG21044[C], 1[P], 5[O],
LEU96CD1944[O], 4[C], 1[N],
LEU96CG944[O], 1[N], 4[C],
LEU96CD2743[C], 4[O],
PRO113CG341[C], 2[O],
CYS116SG28413[O], 2[P], 12[C], 1[N],
ILE118CG22149[O], 12[C],
ILE118CG134418[O], 2[P], 14[C],
ILE118CD134415[C], 1[N], 15[O], 3[P],
SER120OG1949[O], 1[P], 2[N], 7[C],
ARG121CZ6942[N], 31[C], 31[O], 5[P],
ARG121NE74431[O], 5[P], 34[C], 4[N],
ARG121CD5141[N], 22[C], 5[P], 23[O],
ARG121CG44418[C], 3[N], 19[O], 4[P],
PRO122CD33412[O], 4[N], 17[C],
PRO122CG3144[N], 16[C], 11[O],
VAL123CG21042[O], 6[C], 2[N],
VAL123CG12144[N], 8[C], 8[O], 1[P],
ASP124CG2247[O], 11[C], 4[N],
ASP124OD21945[O], 4[N], 10[C],
ASP124OD12448[O], 12[C], 4[N],
GLN125CG2548[O], 13[C], 4[N],
GLN125CD2941[P], 10[O], 4[N], 14[C],
GLN125NE228410[O], 1[P], 13[C], 4[N],
GLN125OE128413[C], 4[N], 10[O], 1[P],
HIS126CD22949[C], 4[N], 12[O], 4[P],
HIS126NE23544[N], 10[C], 17[O], 4[P],
HIS126CE12543[N], 6[C], 4[P], 12[O],
HIS126ND11548[O], 6[C], 1[N],
HIS126CG1747[O], 7[C], 3[N],
LEU127CD1242[O],
LEU127CG242[O],
PHE159CD1441[O], 3[C],
PHE159CE1341[O], 2[C],
ASP160OD1341[O], 1[C], 1[N],
MET161SD3541[P], 12[O], 4[N], 18[C],
MET161CG29410[O], 1[P], 14[C], 4[N],
MET161CE29416[C], 4[N], 9[O],
VAL162CG11448[O], 2[P], 4[C],
VAL162CG2242[O],
THR163CG25044[N], 20[C], 4[P], 22[O],
THR163OG151420[C], 4[N], 23[O], 4[P],
VAL164CG24942[N], 19[C], 24[O], 4[P],
VAL164CG14744[P], 24[O], 2[N], 17[C],
THR167OG1444[O],
GLU168OE21941[P], 8[O], 8[C], 2[N],
GLU168OE12042[P], 8[O], 8[C], 2[N],
GLU168CG844[C], 4[O],
GLU168CD2048[C], 2[N], 8[O], 2[P],
GLU189OE11346[O], 1[P], 6[C],
GLU189OE221410[O], 2[P], 9[C],
GLU189CD1841[P], 7[O], 10[C],
GLU189CG1948[O], 11[C],
GLU191CD944[C], 5[O],
GLU191OE2242[O],
GLU191OE11541[N], 8[C], 6[O],
GLU191CG942[O], 2[N], 5[C],
ILE192CG1343[O],
ILE192CD1747[O],
ASP232OD2141[O],
ARG233CZ743[O], 4[C],
ARG233NE242[O],
ILE234CG11348[O], 5[C],
ILE234CG2444[O],
ILE234CD1846[O], 2[C],
PRO299CD241[O], 1[C],
PRO299CG743[C], 4[O],
PRO304CG242[O],
THR305OG115410[C], 5[O],
THR305CG240421[C], 16[O], 3[P],
ASP306CG4142[N], 20[C], 1[P], 18[O],
ASP306OD247420[O], 3[P], 22[C], 2[N],
ASP306OD145421[O], 1[P], 21[C], 2[N],
GLU326OE2645[O], 1[C],
GLU326OE1141[O],
GLU326CD141[O],
GLU326CG141[O],
ILE328CG126411[C], 13[O], 2[P],
ILE328CD126413[O], 2[P], 11[C],
ILE328CG25144[P], 24[O], 21[C], 2[N],
PHE329CD26144[P], 28[O], 29[C],
PHE329CD16244[P], 28[O], 28[C], 2[N],
PHE329CE27345[P], 35[O], 31[C], 2[N],
PHE329CZ81436[C], 4[N], 36[O], 5[P],
PHE329CE179435[C], 4[N], 34[O], 6[P],
PHE329CG54425[C], 4[P], 25[O],
GLU330OE11749[C], 1[N], 7[O],
GLU330OE21245[O], 7[C],
GLU330CG441[C], 3[O],
GLU330CD1247[C], 5[O],
ASN331ND2242[O],
ARG332NE2047[O], 13[C],
ARG332CZ2941[P], 12[O], 16[C],
ARG332CD1044[O], 6[C],
ARG332CG643[C], 3[O],
MET334CE141[O],
ASP370CG946[C], 3[O],
ASP370OD11245[O], 7[C],
ASP370OD2644[C], 2[O],
LEU371CD224411[O], 1[P], 10[C], 2[N],
LEU371CD117410[C], 1[N], 5[O], 1[P],
LEU371CG19410[O], 1[P], 1[N], 7[C],
ARG372CD1747[O], 1[N], 9[C],
ARG372NE1649[C], 6[O], 1[P],
ARG372CZ1448[C], 6[O],
ARG372CG1747[O], 10[C],
HIS395ND1141[O],
HIS395CE1141[O],
ARG398CD15410[O], 2[P], 3[C],
ARG398NE2046[C], 12[O], 2[P],
ARG398CG942[C], 5[O], 2[P],
ARG398CZ2542[P], 12[O], 1[N], 10[C],
Total = 140



Download csv file of statistical distribution of contacts