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 :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: GDP_A_5(1VJ7) / Model_20(1VJ7/A) = [5.2] Download1309.271.15MVTVREQLPEQLTELSEETTVEHAAETQVGLASWLDRVREILDGAELKQLEEVAHLTLQKELDSTVNHRSNTFATGVGMADILAHLHVDEDTLSAAMLYRSVREDITDIEEVKRKFGEQVYNLVKGTLAMGKLSELIEKNKRLEDHFNNNQREHLSGIYKMLISVTEDVRVVLIKLAERTYSLRELANSSRERQERVAREILTIYSPLAHRLGIAQLKWELEDLAFRYLAPDRYKEIASLLNEKRLEREHYIQFVIDRLKSELAAHGIEAEITGRAKHIYSIYRKMKSKNLSFDQLYDIRALRVLVNSVPECYHSLGIVHQIWRHIPHQFDDYITNPKANGYRSLHTAVIAENKSLEVQIRTHEMHDEAELGVCSHFNYKEGSKNTDHSFNHRLHSLRAVLEHYQERNETTVHQNEDETEGFDQLQDFEGFEKIYVFSRDGDIKELPRGSTVLDFAYHVHTEVGNKCYAARVNQRYVPLTYTLKTGEQVEILTKKDREPNRDWLVNSLGYIKTARARDKLRHWFRQQDRSKNLEVGRELLNKELSRLAIHPKSIDLNDYSSHFNVKTGDDILVSLVSGDISLHALINQINRQMHLDQDEPELVLKPTLNPRASHTLSAHGILIDGLDNVELHIAQCCQPVHGESIAGYITLNRGVSIHKVLCSDYQRMIKQEPERAVEADWEMQPTRGQSVQIVVEAYDRRGLLKDLTQVIFSDQINIRQVNTISEADGIANMKLLIEVKGLAQLSRLLARLEQQPGIISARRMIQGV
Consensus
[pKd Mean = 5.20]
-1309
(s=0)
1
(s=0)
MVTVREQLPEQLTELSEETTVEHAAETQVGLASWLDRVREILDGAELKQLEEVAHLTLQKELDSTVNHRSNTFATGVGMADILAHLHVDEDTLSAAMLYRSVREDITDIEEVKRKFGEQVYNLVKGTLAMGKLSELIEKNKRLEDHFNNNQREHLSGIYKMLISVTEDVRVVLIKLAERTYSLRELANSSRERQERVAREILTIYSPLAHRLGIAQLKWELEDLAFRYLAPDRYKEIASLLNEKRLEREHYIQFVIDRLKSELAAHGIEAEITGRAKHIYSIYRKMKSKNLSFDQLYDIRALRVLVNSVPECYHSLGIVHQIWRHIPHQFDDYITNPKANGYRSLHTAVIAENKSLEVQIRTHEMHDEAELGVCSHFNYKEGSKNTDHSFNHRLHSLRAVLEHYQERNETTVHQNEDETEGFDQLQDFEGFEKIYVFSRDGDIKELPRGSTVLDFAYHVHTEVGNKCYAARVNQRYVPLTYTLKTGEQVEILTKKDREPNRDWLVNSLGYIKTARARDKLRHWFRQQDRSKNLEVGRELLNKELSRLAIHPKSIDLNDYSSHFNVKTGDDILVSLVSGDISLHALINQINRQMHLDQDEPELVLKPTLNPRASHTLSAHGILIDGLDNVELHIAQCCQPVHGESIAGYITLNRGVSIHKVLCSDYQRMIKQEPERAVEADWEMQPTRGQSVQIVVEAYDRRGLLKDLTQVIFSDQINIRQVNTISEADGIANMKLLIEVKGLAQLSRLLARLEQQPGIISARRMIQGV



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]
HIS210CD2613[C], 1[O], 2[N],
HIS210O111[O],
HIS210CE1411[N], 1[O], 2[C],
HIS210ND1111[O],
HIS210CG211[O], 1[C],
HIS210NE2712[N], 1[O], 4[C],
GLY213C111[N],
GLY213O212[N],
GLY213CA211[O], 1[N],
ALA215CA311[C], 2[N],
ALA215CB513[N], 2[C],
ALA215N212[N],
ALA215C111[N],
TRP219CZ3411[O], 2[N], 1[C],
TRP219CE2511[O], 2[N], 2[C],
TRP219CZ21314[N], 2[O], 7[C],
TRP219CE3111[N],
TRP219NE1211[C], 1[O],
ARG275NE212[O],
ARG275CZ714[C], 3[O],
ARG275CD111[O],
LYS277CE111[O],
LYS277CD111[O],
LYS277NZ413[C], 1[O],
LYS285NZ111[O],
LYS285CD111[O],
LYS285CE211[O], 1[C],
ALA301CB111[O],
ARG303CZ111[O],
GLN329C111[O],
GLN329O111[O],
PHE330C111[O],
ASP331CG514[O], 1[P],
ASP331OD2514[O], 1[P],
ASP331CB411[P], 3[O],
ASP331OD1413[O], 1[P],
ASP331CA111[O],
ASP331N111[O],
ASP331O111[O],
TYR333CE1311[P], 2[O],
TYR333CG111[O],
TYR333CD2312[O], 1[P],
TYR333CZ511[P], 4[O],
TYR333CD1111[O],
TYR333CE2815[O], 1[N], 1[P], 1[C],
LYS338CG411[O], 1[N], 2[C],
LYS338CD812[O], 2[N], 4[C],
LYS338CE1011[P], 4[C], 2[N], 3[O],
LYS338NZ1312[N], 5[O], 2[P], 4[C],
LYS338CB111[O],
ASN340CG311[C], 1[O], 1[N],
ASN340OD1412[C], 1[O], 1[N],
ASN340CB111[O],
ASN340ND2611[O], 2[N], 3[C],
TYR342CZ1415[N], 2[O], 7[C],
TYR342CG1115[C], 5[N], 1[O],
TYR342CE21315[N], 2[O], 6[C],
TYR342CD11215[N], 1[O], 6[C],
TYR342N111[O],
TYR342CB914[N], 1[O], 4[C],
TYR342CD21116[C], 1[O], 4[N],
TYR342CE11412[O], 5[N], 7[C],
TYR342CA311[O], 1[N], 1[C],
HIS346ND11514[C], 2[P], 8[O], 1[N],
HIS346CD21015[O], 1[N], 1[P], 3[C],
HIS346CB411[P], 3[O],
HIS346C111[O],
HIS346O111[O],
HIS346CA111[O],
HIS346NE21712[P], 7[C], 3[N], 5[O],
HIS346N111[O],
HIS346CG1015[O], 3[C], 2[P],
HIS346CE12018[C], 2[P], 8[O], 2[N],
GLU357OE2211[O], 1[C],
GLU357OE1613[O], 2[C], 1[P],
GLU357CD312[C], 1[O],
GLN359NE21619[C], 4[O], 3[N],
GLN359OE1914[C], 3[O], 2[N],
GLN359CG612[O], 4[C],
GLN359CD1116[C], 3[O], 2[N],
ARG361CZ312[N], 1[C],
ALA369CB512[C], 3[N],
ALA369CA413[N], 1[C],
ALA369N111[N],
ALA369O612[C], 3[N], 1[O],
ALA369C413[N], 1[C],
GLU370N211[N], 1[C],
GLU370CD111[N],
GLU370CG111[N],
GLU370OE2111[N],
GLU370C111[N],
GLU370CA111[N],
Total = 92



Download csv file of statistical distribution of contacts