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_83(1GDE/A) = [4.9] Download409.7221.41MMNLSNRFSPRLSRIEVSKIRQFDQQISSIPDVIKLTLGEPDFPTPEHVKQAGIAAIEEDFSHYTGMRGLEELREAACIFQQQRYGLTYDPQTEVLTTVGATEAIASALLSVLEEGDKVLIPAPAYSGYQPLVELAGAELIPIDTSDTGFVCQPEQFERAFEQYGSAVKAVILNYPNNPTGTTLSAKQLKAIAEVLKKYPVFVISDEVYAELTYSGTHMSIATYLPEQTIVISGLSKSHAMTGWRVGFIFAQKALIDELIKVHQYLVTAATTMSQKAAAEALINGVKDSENMKEQYQTRRDYLVQQLAPLGFEVTQPNGAFYLFCKLPAAIQTDSWQFCVELAEQAKVACIPGIAFGPEGEGYIRISYASSMEKLHEACKRIKDFLTEQ
Consensus
[pKd Mean = 4.90]		-409
(s=0)		21
(s=0)		MMNLSNRFSPRLSRIEVSKIRQFDQQISSIPDVIKLTLGEPDFPTPEHVKQAGIAAIEEDFSHYTGMRGLEELREAACIFQQQRYGLTYDPQTEVLTTVGATEAIASALLSVLEEGDKVLIPAPAYSGYQPLVELAGAELIPIDTSDTGFVCQPEQFERAFEQYGSAVKAVILNYPNNPTGTTLSAKQLKAIAEVLKKYPVFVISDEVYAELTYSGTHMSIATYLPEQTIVISGLSKSHAMTGWRVGFIFAQKALIDELIKVHQYLVTAATTMSQKAAAEALINGVKDSENMKEQYQTRRDYLVQQLAPLGFEVTQPNGAFYLFCKLPAAIQTDSWQFCVELAEQAKVACIPGIAFGPEGEGYIRISYASSMEKLHEACKRIKDFLTEQ



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]
PRO41CD211[C], 1[O],
THR98OG1311[P], 2[O],
VAL99CG1111[O],
THR102OG11415[O], 7[C], 1[P], 1[N],
THR102CG21311[N], 1[P], 4[O], 7[C],
GLU103CG111[O],
GLU103OE2111[O],
GLU103CD111[O],
ILE105CD1211[C], 1[N],
ILE105CG1413[C], 1[N],
TYR126CE21311[P], 8[C], 3[O], 1[N],
TYR126CD21111[N], 2[O], 8[C],
TYR126CZ1411[P], 4[O], 8[C], 1[N],
TYR126CE11414[O], 8[C], 1[P], 1[N],
TYR126CD11112[O], 8[C], 1[N],
TYR126CG1111[N], 2[O], 8[C],
SER127OG611[O], 5[C],
TYR129CE2611[N], 4[C], 1[O],
TYR129CZ811[N], 6[C], 1[O],
TYR129CD1611[N], 5[C],
TYR129CD2311[N], 2[C],
TYR129CG311[N], 2[C],
TYR129CE1911[O], 7[C], 1[N],
ASN174OD1816[C], 1[O], 1[N],
ASN174ND2811[N], 6[C], 1[O],
ASN174CG816[C], 1[O], 1[N],
ASN177CG111[C],
ASN177OD1312[C], 1[O],
ASN178OD1615[C], 1[O],
ASN178CG911[O], 7[C], 1[N],
ASN178ND21018[C], 1[O], 1[N],
PRO179CD111[C],
ASP206OD21311[P], 3[O], 8[C], 1[N],
ASP206OD11111[N], 8[C], 2[O],
ASP206CG1118[C], 2[O], 1[N],
VAL208CG11511[P], 8[C], 5[O], 1[N],
VAL208CG21511[N], 1[P], 5[O], 8[C],
TYR209CG911[O], 7[C], 1[N],
TYR209CZ1111[N], 2[O], 8[C],
TYR209CD1911[N], 7[C], 1[O],
TYR209CE11112[O], 8[C], 1[N],
TYR209CE21111[N], 8[C], 2[O],
TYR209CD2911[N], 7[C], 1[O],
ILE232CG1211[N], 1[C],
ILE232CG2911[P], 3[O], 4[C], 1[N],
ILE232CD1211[C], 1[N],
SER236OG1011[P], 4[O], 5[C],
LYS237NZ1511[N], 8[C], 5[O], 1[P],
LYS237CD1515[O], 8[C], 1[P], 1[N],
LYS237CE1518[C], 5[O], 1[P], 1[N],
LYS237CG1511[N], 1[P], 5[O], 8[C],
THR242OG1211[O], 1[P],
THR242CG2914[C], 4[O], 1[P],
ARG245CG413[O], 1[P],
ARG245NE614[O], 1[C], 1[P],
ARG245CZ712[C], 4[O], 1[P],
ARG245CD514[O], 1[P],
VAL246CG1111[O],
PHE321CE2312[C], 1[O],
PHE321CZ413[C], 1[O],
PHE321CD2111[O],
TYR322CE2615[C], 1[O],
TYR322CD1111[O],
TYR322CE1411[O], 3[C],
TYR322CZ615[C], 1[O],
TYR322CD2514[C], 1[O],
TYR322CG111[O],
PHE356CE1111[O],
ARG365CZ211[O], 1[C],
ARG365CD111[O],
ARG365NE111[O],
Total = 71



Download csv file of statistical distribution of contacts