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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: GTP_A_7(5ND4) / Model_47(5ND4/A) = [6.3] Download923.7720.91MREIVHLQAGQCGNQIGAKFWEVISDEHGIDPTGTYHGDSDLQLERINVYYNEATGGKYVPRAVLVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNWAKGHYTEGAELVDSVLDVVRKEAESCDCLQGFQLTHSLGGGTGSGMGTLLISKIREEYPDRIMNTFSVVPSPKVSDTVVEPYNATLSVHQLVENTDETYCIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLRKLAVNMVPFPRLHFFMPGFAPLTSRGSQQYRALTVPELTQQMFDAKNMMAACDPRHGRYLTVAAVFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTEAESNMNDLVSEYQQYQDATAEEEGEFEEEAEEEVA
Complex: GDP_B_9(5ND4) / Model_19(5ND4/B) = [4.3] Download666.7421.68MREIVHLQAGQCGNQIGAKFWEVISDEHGIDPTGTYHGDSDLQLERINVYYNEATGGKYVPRAVLVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNWAKGHYTEGAELVDSVLDVVRKEAESCDCLQGFQLTHSLGGGTGSGMGTLLISKIREEYPDRIMNTFSVVPSPKVSDTVVEPYNATLSVHQLVENTDETYCIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLRKLAVNMVPFPRLHFFMPGFAPLTSRGSQQYRALTVPELTQQMFDAKNMMAACDPRHGRYLTVAAVFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTEAESNMNDLVSEYQQYQDATAEEEGEFEEEAEEEVA
Consensus
[pKd Mean = 5.30]
-795
(s=128)
21
(s=0)
MREIVHLQAGQCGNQIGAKFWEVISDEHGIDPTGTYHGDSDLQLERINVYYNEATGGKYVPRAVLVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNWAKGHYTEGAELVDSVLDVVRKEAESCDCLQGFQLTHSLGGGTGSGMGTLLISKIREEYPDRIMNTFSVVPSPKVSDTVVEPYNATLSVHQLVENTDETYCIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLRKLAVNMVPFPRLHFFMPGFAPLTSRGSQQYRALTVPELTQQMFDAKNMMAACDPRHGRYLTVAAVFRGRMSMKEVDEQMLNVQNKNSSYFVEWIPNNVKTAVCDIPPRGLKMSATFIGNSTAIQELFKRISEQFTAMFRRKAFLHWYTGEGMDEMEFTEAESNMNDLVSEYQQYQDATAEEEGEFEEEAEEEVA



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]
GLN11OE14824[N], 18[C], 5[P], 21[O],
GLN11CD45221[O], 5[P], 15[C], 4[N],
GLN11CG4325[P], 21[O], 13[C], 4[N],
GLN11NE23323[N], 6[C], 5[P], 19[O],
CYS12SG5424[P], 20[O], 10[N], 20[C],
ASN14ND2423[O], 1[P],
ASN14CG121[O],
GLN15OE137215[C], 9[N], 11[O], 2[P],
GLN15CD2928[O], 2[P], 8[N], 11[C],
GLN15NE23823[P], 13[O], 14[C], 8[N],
GLN15CG2326[O], 10[C], 7[N],
ILE16CG22022[O], 9[C], 9[N],
ILE16CD11822[O], 8[N], 8[C],
ILE16CG11727[N], 8[C], 2[O],
LYS19CG421[C], 1[N], 2[O],
LYS19CD121[O],
LYS19CE121[O],
ASP67OD119214[O], 5[P],
ASP67OD21624[P], 12[O],
ASP67CG1423[P], 11[O],
LEU68CD1421[P], 3[O],
LEU68CD2121[O],
LEU68CG421[P], 3[O],
GLU69CD1122[P], 9[O],
GLU69OE116212[O], 4[P],
GLU69OE2826[O], 2[P],
GLU69CG826[O], 2[P],
THR72CG2826[O], 2[P],
THR72OG11028[O], 2[P],
ASN99ND23025[P], 19[O], 6[C],
ASN99OD12625[P], 16[O], 5[C],
ASN99CG26217[O], 5[P], 4[C],
ASN100OD1121[O],
LYS103CE121[O],
LYS103CG121[O],
LYS103CD121[O],
HIS137CG121[O],
HIS137ND1121[O],
SER138OG53220[O], 4[P], 9[N], 20[C],
THR143OG120215[O], 5[P],
THR143CG213210[O], 3[P],
SER145OG1822[C], 12[O], 4[P],
MET147CG121[O],
MET147SD121[O],
VAL169CG13929[O], 20[C], 10[N],
VAL169CG23327[O], 10[N], 16[C],
PRO171CG924[O], 5[C],
PRO171CD824[C], 4[O],
SER172OG1726[O], 8[C], 3[N],
VAL175CG1121[O],
SER176OG222[O],
ASP177OD12821[P], 9[O], 14[C], 4[N],
ASP177CG32211[O], 1[P], 5[N], 15[C],
ASP177OD23222[P], 10[O], 5[N], 15[C],
THR178CG21922[P], 11[O], 6[C],
THR178OG136211[C], 1[N], 19[O], 5[P],
VAL180CG2121[O],
GLU181CG2021[P], 9[O], 10[C],
GLU181OE232216[O], 2[P], 2[N], 12[C],
GLU181CD21210[C], 9[O], 2[P],
GLU181OE119210[C], 9[O],
ASN184CG424[O],
ASN184ND215211[O], 3[P], 1[C],
ASN184OD1121[O],
ILE202CD1423[N], 1[C],
ILE202CG2521[C], 4[N],
ILE202CG1221[C], 1[N],
ASN204CG37219[C], 10[N], 8[O],
ASN204ND235219[C], 10[N], 6[O],
ASN204OD13728[O], 19[C], 10[N],
LEU207CD1824[C], 4[N],
LEU207CD2824[N], 4[C],
LEU207CG826[N], 2[C],
TYR208CE1422[N], 1[C], 1[O],
TYR208CZ1122[O], 4[C], 5[N],
TYR208CE2923[N], 4[C], 2[O],
TYR208CD2322[O], 1[N],
TYR222CG32217[C], 10[N], 5[O],
TYR222CD135210[N], 18[C], 7[O],
TYR222CZ42220[C], 10[N], 11[O], 1[P],
TYR222CE139210[N], 19[C], 10[O],
TYR222CD233217[C], 10[N], 6[O],
TYR222CE239210[O], 1[P], 10[N], 18[C],
LEU225CD12324[O], 8[N], 11[C],
LEU225CD2924[C], 5[N],
LEU225CG1628[N], 6[C], 2[O],
ASN226CG22210[N], 10[C], 2[O],
ASN226ND22222[O], 10[C], 10[N],
ASN226OD124210[N], 12[C], 2[O],
LEU228CD2121[N],
VAL229CG2826[N], 2[C],
VAL229CG1423[N], 1[C],
Total = 92



Download csv file of statistical distribution of contacts