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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: FMN_C_3(1CI0) / Model_10(1CI0/A) = [3.1] Download970.4212.09MSDVIKDLSELRLSYEQGELYETQVASNPHEQFLGWFNHALAANLHEPYAMSLATASASGRPHVRTVLLRGATEAGYDFYTNYDSQKGIDLAENPYAELLFYWPSLERQVRVGGHVVKIPEQESTDYYHKRPRDSQIAAYISTPQSGKIESRELLQQRFQDLQQQVQSHEVLDKPEFWGGYRLQPDYYEFWQGRPNRLHDRLSYEKIDGQWTLHRLMP
Consensus
[pKd Mean = 3.10]		-970
(s=0)		12
(s=0)		MSDVIKDLSELRLSYEQGELYETQVASNPHEQFLGWFNHALAANLHEPYAMSLATASASGRPHVRTVLLRGATEAGYDFYTNYDSQKGIDLAENPYAELLFYWPSLERQVRVGGHVVKIPEQESTDYYHKRPRDSQIAAYISTPQSGKIESRELLQQRFQDLQQQVQSHEVLDKPEFWGGYRLQPDYYEFWQGRPNRLHDRLSYEKIDGQWTLHRLMP



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]
TYR102CE1616[C],
TYR102CE2414[C],
TYR102CD1515[C],
TYR102CG313[C],
TYR102CZ616[C],
TYR102CD2212[C],
GLU107O111[C],
GLU107C111[C],
ARG108C111[C],
ARG108O111[C],
GLN109CB313[C],
GLN109CD1012[O], 8[C],
GLN109NE21311[N], 3[O], 9[C],
GLN109N111[C],
GLN109CA111[C],
GLN109OE1912[O], 7[C],
GLN109CG511[O], 4[C],
ARG111CZ915[O], 1[P], 3[C],
ARG111NE412[O], 1[P], 1[C],
ARG111CD412[C], 2[O],
GLU189CD212[O],
GLU189OE1412[C], 2[O],
GLU189OE2514[O], 1[C],
TRP191CB111[O],
TRP191CE3313[C],
TRP191CE21118[C], 2[O], 1[N],
TRP191NE11213[O], 8[C], 1[N],
TRP191CD2812[O], 6[C],
TRP191CG614[C], 2[O],
TRP191CD1815[C], 3[O],
TRP191CZ3616[C],
TRP191CZ214111[C], 2[O], 1[N],
HIS199NE2511[N], 4[C],
HIS199CD2511[O], 3[C], 1[N],
ARG201CZ915[O], 1[P], 3[C],
ARG201CD513[O], 2[C],
ARG201NE613[C], 3[O],
ARG201CG111[O],
LEU216CD1111[O],
MET217O212[O],
PRO218O1117[C], 2[O], 2[N],
PRO218CA111[O],
PRO218C111[O],
PRO218CB111[O],
Total = 44



Download csv file of statistical distribution of contacts