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_63(1GDE/A) = [4.9] Download508.1626.00MDLTKRFNKQLDKIQVSLIRQFDQVISEIPGVLRLTLGEPDFTTPDHVKEAAKRAIDQNQSYYTGMSGLLTLRQAASDFVKEKYQLDYAPENEILVTIGATEALSATLTAILEEGDKVLLPAPAYPGYEPIVNLVGAEIVEIDTTENGFVLTPEMLEKAILEQGDKLKAVILNYPANPTGITYSREQLEALAAVLRKYEIFVVCDEVYSELTYTGEAHVSLGTMLRDQAIIINGLSKSHAMTGWRLGLIFAPATFTAQLIKSHQYLVTAANTMAQHAAVEALTAGKNDAEPMKKEYIQRRDYIIEKMTALGFEIIKPDGAFYIFAKIPAGYNQDSFAFLKDFAQKKAVAFIPGAAFGRYGEGYVRLSYAASMETIKEAMKRLEEYMREA
Consensus
[pKd Mean = 4.90]		-508
(s=0)		26
(s=0)		MDLTKRFNKQLDKIQVSLIRQFDQVISEIPGVLRLTLGEPDFTTPDHVKEAAKRAIDQNQSYYTGMSGLLTLRQAASDFVKEKYQLDYAPENEILVTIGATEALSATLTAILEEGDKVLLPAPAYPGYEPIVNLVGAEIVEIDTTENGFVLTPEMLEKAILEQGDKLKAVILNYPANPTGITYSREQLEALAAVLRKYEIFVVCDEVYSELTYTGEAHVSLGTMLRDQAIIINGLSKSHAMTGWRLGLIFAPATFTAQLIKSHQYLVTAANTMAQHAAVEALTAGKNDAEPMKKEYIQRRDYIIEKMTALGFEIIKPDGAFYIFAKIPAGYNQDSFAFLKDFAQKKAVAFIPGAAFGRYGEGYVRLSYAASMETIKEAMKRLEEYMREA



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]
PRO40CD211[O], 1[C],
THR97OG1312[O], 1[P],
ILE98CG2111[O],
THR101CG21317[C], 4[O], 1[P], 1[N],
THR101OG11415[O], 1[P], 7[C], 1[N],
GLU102CG111[O],
GLU102OE2111[O],
GLU102CD111[O],
LEU104CD2211[C], 1[N],
LEU104CD1716[C], 1[N],
LEU104CG411[N], 3[C],
TYR125CG1118[C], 2[O], 1[N],
TYR125CE11411[N], 8[C], 1[P], 4[O],
TYR125CZ1411[P], 4[O], 8[C], 1[N],
TYR125CE21313[O], 1[P], 8[C], 1[N],
TYR125CD11112[O], 8[C], 1[N],
TYR125CD21111[N], 2[O], 8[C],
PRO126CG411[O], 3[C],
PRO126CD911[O], 7[C], 1[N],
TYR128CD2312[C], 1[N],
TYR128CE2611[N], 4[C], 1[O],
TYR128CE1911[N], 7[C], 1[O],
TYR128CZ811[N], 6[C], 1[O],
TYR128CG312[C], 1[N],
TYR128CD1615[C], 1[N],
ASN173OD1811[N], 1[O], 6[C],
ASN173ND2811[N], 6[C], 1[O],
ASN173CG811[O], 6[C], 1[N],
ASN177ND21011[N], 8[C], 1[O],
ASN177OD1615[C], 1[O],
ASN177CG911[O], 7[C], 1[N],
PRO178CD111[C],
ASP205OD21311[P], 3[O], 8[C], 1[N],
ASP205OD11111[N], 2[O], 8[C],
ASP205CG1111[N], 8[C], 2[O],
VAL207CG11518[C], 1[P], 5[O], 1[N],
VAL207CG21518[C], 5[O], 1[P], 1[N],
TYR208CD1917[C], 1[O], 1[N],
TYR208CE21118[C], 2[O], 1[N],
TYR208CG917[C], 1[O], 1[N],
TYR208CZ1112[O], 8[C], 1[N],
TYR208CE11118[C], 2[O], 1[N],
TYR208CD2917[C], 1[O], 1[N],
ILE232CG2911[N], 1[P], 3[O], 4[C],
ILE232CD1211[C], 1[N],
ILE232CG1211[N], 1[C],
SER236OG1015[C], 4[O], 1[P],
LYS237NZ1511[P], 5[O], 8[C], 1[N],
LYS237CD1511[N], 8[C], 1[P], 5[O],
LYS237CG1511[N], 8[C], 5[O], 1[P],
LYS237CE1511[N], 5[O], 1[P], 8[C],
THR242CG2914[O], 1[P], 4[C],
THR242OG1211[O], 1[P],
ARG245CG413[O], 1[P],
ARG245NE611[C], 4[O], 1[P],
ARG245CD511[P], 4[O],
ARG245CZ712[C], 1[P], 4[O],
PHE321CD2111[O],
PHE321CE2311[O], 2[C],
PHE321CZ411[O], 3[C],
TYR322CG111[O],
TYR322CD1111[O],
TYR322CE2611[O], 5[C],
TYR322CZ615[C], 1[O],
TYR322CE1413[C], 1[O],
TYR322CD2514[C], 1[O],
PHE356CE1111[O],
ARG365CD111[O],
ARG365NE111[O],
ARG365CZ211[C], 1[O],
Total = 70



Download csv file of statistical distribution of contacts