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 :C2_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 C2_S1
Complex: FMN_B_8(4RNX) / Model_46(4RNX/B) = [3.3] Download275.71-14.00MGGMTMSQFDQSITLPSGVQLKNRLMLSPMTTQLSFFNGVITEDEITYYKQRSKGLGAVITGAANVQDIGKGWPGELSIAHDEMIPRLSELAKAIQGEGAKAIIQIFHGGRMTSRATLSGEQPVSASAVAAKRPDAETPRAMSEEEIVETIQAFGKATRRAIESGFDGIELHGANTYLIQQFFSPHSNRREDQWGGSLENRYRFIEELLTTVFSAVEQYAKKPFIVGYRFSPEEYETPGIRFEDTIWLLERLRESKLDYLHVSLNMYDRIARSDKYNDKSILEVVHNTIQGKIPLVGVGGIRNREDVEQVLKYAELAAIGQQMIVDPDWAEKLLENREDEFVTKPFEEAYKELYLPSPLYNFLKARYQ
Consensus
[pKd Mean = 3.30]		-275
(s=0)		-14
(s=0)		MGGMTMSQFDQSITLPSGVQLKNRLMLSPMTTQLSFFNGVITEDEITYYKQRSKGLGAVITGAANVQDIGKGWPGELSIAHDEMIPRLSELAKAIQGEGAKAIIQIFHGGRMTSRATLSGEQPVSASAVAAKRPDAETPRAMSEEEIVETIQAFGKATRRAIESGFDGIELHGANTYLIQQFFSPHSNRREDQWGGSLENRYRFIEELLTTVFSAVEQYAKKPFIVGYRFSPEEYETPGIRFEDTIWLLERLRESKLDYLHVSLNMYDRIARSDKYNDKSILEVVHNTIQGKIPLVGVGGIRNREDVEQVLKYAELAAIGQQMIVDPDWAEKLLENREDEFVTKPFEEAYKELYLPSPLYNFLKARYQ



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]
GLU170OE2211[O], 1[C],
GLU170CG211[C], 1[O],
GLU170CD412[N], 1[O], 1[C],
GLU170OE1813[O], 3[C], 2[N],
HIS172NE21518[C], 3[O], 4[N],
HIS172CG812[O], 4[C], 2[N],
HIS172CE11215[C], 3[O], 4[N],
HIS172CD21114[N], 5[C], 2[O],
HIS172ND1814[C], 2[O], 2[N],
ASN175CG2114[N], 5[O], 12[C],
ASN175ND223114[C], 5[O], 4[N],
ASN175OD11813[N], 4[O], 11[C],
TYR177CD2912[O], 4[C], 3[N],
TYR177CG512[C], 2[O], 1[N],
TYR177CE1311[N], 1[O], 1[C],
TYR177CD1111[N],
TYR177CE21312[O], 7[C], 4[N],
TYR177CZ1114[N], 2[O], 5[C],
ARG229CG914[C], 3[O], 2[N],
ARG229NE1613[N], 9[C], 4[O],
ARG229CZ2214[N], 6[O], 12[C],
ARG229CD1413[N], 7[C], 4[O],
SER231OG111[O],
Total = 23



Download csv file of statistical distribution of contacts