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: PLP_E_5(1GDE) / Model_69(1GDE/A) = [3.5] Download402.9114.06MDVRLSDRVNAIKPSPTLAVTNKAAELKAAGKNVIGLGAGEPDFDTPQHIKDAAIEAINNGFTKYTAVDGTPGLKKAIIAKLKRDNNLDYQPNQILVSCGGKQSFFNLALALLNKGDEVIIPAPFWVSYPDMVIIAEGTPVIVKCGEEQRFKITPEQLEAAITPNTRLVVLNSPSNPTGMIYSKAELEALAEVLRRHPQVFVASDDMYEPIRWEDEFYNIATVAPDLYDRTIVLNGVSKAYAMTGWRIGYAAGPAKIIGAMKKIQSQSTSNPTSISQVAAEAALNGPQDVLKPMIEAFKRRHDLVVNGLNDIKGISCLPADGAFYAYANIRPLIRAKGLKSCTEFSEWLLEETGVAVVPGDAFGLGGFMRISYATADEVLVDALARIKKAAESIEGVDAAIASIEAEKAAK
Consensus
[pKd Mean = 3.50]		-402
(s=0)		14
(s=0)		MDVRLSDRVNAIKPSPTLAVTNKAAELKAAGKNVIGLGAGEPDFDTPQHIKDAAIEAINNGFTKYTAVDGTPGLKKAIIAKLKRDNNLDYQPNQILVSCGGKQSFFNLALALLNKGDEVIIPAPFWVSYPDMVIIAEGTPVIVKCGEEQRFKITPEQLEAAITPNTRLVVLNSPSNPTGMIYSKAELEALAEVLRRHPQVFVASDDMYEPIRWEDEFYNIATVAPDLYDRTIVLNGVSKAYAMTGWRIGYAAGPAKIIGAMKKIQSQSTSNPTSISQVAAEAALNGPQDVLKPMIEAFKRRHDLVVNGLNDIKGISCLPADGAFYAYANIRPLIRAKGLKSCTEFSEWLLEETGVAVVPGDAFGLGGFMRISYATADEVLVDALARIKKAAESIEGVDAAIASIEAEKAAK



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]
PRO42CD211[C], 1[O],
SER98OG312[O], 1[P],
LYS102CE714[C], 1[P], 2[O],
LYS102NZ211[O], 1[C],
LYS102CD1115[C], 1[N], 1[P], 4[O],
LYS102CG1314[O], 1[P], 1[N], 7[C],
GLN103CG111[O],
SER104OG111[C],
PHE105CD11017[C], 1[N], 2[O],
PHE105CD2511[N], 4[C],
PHE105CZ1111[N], 7[C], 3[O],
PHE105CG511[N], 4[C],
PHE105CE11418[C], 1[N], 1[P], 4[O],
PHE105CE2716[C], 1[N],
TRP126CZ31112[O], 8[C], 1[N],
TRP126NE11313[O], 1[P], 8[C], 1[N],
TRP126CE31118[C], 1[N], 2[O],
TRP126CG1112[O], 8[C], 1[N],
TRP126CD21118[C], 1[N], 2[O],
TRP126CD11118[C], 1[N], 2[O],
TRP126CE21418[C], 1[N], 1[P], 4[O],
TRP126CZ21511[N], 8[C], 1[P], 5[O],
VAL127CG2514[C], 1[O],
SER128OG1213[O], 1[N], 8[C],
TYR129CG312[C], 1[N],
TYR129CE1917[C], 1[N], 1[O],
TYR129CD2312[C], 1[N],
TYR129CD1615[C], 1[N],
TYR129CZ811[O], 6[C], 1[N],
TYR129CE2611[O], 4[C], 1[N],
ASN172OD1811[O], 1[N], 6[C],
ASN172ND2816[C], 1[N], 1[O],
ASN172CG811[O], 6[C], 1[N],
SER175OG111[C],
ASN176CG911[N], 7[C], 1[O],
ASN176OD1611[O], 5[C],
ASN176ND21018[C], 1[N], 1[O],
PRO177CD111[C],
ASP205OD21311[N], 8[C], 1[P], 3[O],
ASP205OD11111[N], 8[C], 2[O],
ASP205CG1111[N], 8[C], 2[O],
MET207CG1515[O], 1[P], 8[C], 1[N],
MET207SD1511[N], 8[C], 1[P], 5[O],
MET207CE1518[C], 1[N], 1[P], 5[O],
TYR208CD1911[O], 7[C], 1[N],
TYR208CE11112[O], 1[N], 8[C],
TYR208CG911[O], 1[N], 7[C],
TYR208CE21118[C], 1[N], 2[O],
TYR208CZ1112[O], 1[N], 8[C],
TYR208CD2911[O], 1[N], 7[C],
LEU234CG211[N], 1[C],
LEU234CD2211[N], 1[C],
VAL237CG2311[P], 2[O],
SER238OG1014[O], 1[P], 5[C],
LYS239CE1515[O], 1[P], 8[C], 1[N],
LYS239CG1515[O], 1[P], 1[N], 8[C],
LYS239CD1515[O], 1[P], 8[C], 1[N],
LYS239NZ1511[N], 8[C], 1[P], 5[O],
THR244CG2914[O], 1[P], 4[C],
THR244OG1211[P], 1[O],
ARG247CZ714[O], 1[P], 2[C],
ARG247CG413[O], 1[P],
ARG247CD514[O], 1[P],
ARG247NE611[C], 1[P], 4[O],
ILE248CG2111[O],
PHE324CZ413[C], 1[O],
PHE324CD2111[O],
PHE324CE2312[C], 1[O],
TYR325CZ615[C], 1[O],
TYR325CE1413[C], 1[O],
TYR325CD1111[O],
TYR325CE2615[C], 1[O],
TYR325CD2511[O], 4[C],
TYR325CG111[O],
PHE363CE1111[O],
ARG370CD111[O],
ARG370CZ211[C], 1[O],
ARG370NE111[O],
Total = 78



Download csv file of statistical distribution of contacts