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: 6FB_A_9(5J1W) / Model_39(5J1W/A) = [3.8] Download810.4622.06MLEATNAARRRTSSIEQRNSYEALMHAIENRVNGDTVNITSIESKDAAASTGGYAAAPATATAAPKHVDPMATNGISQSEMLSAHLTEQLTDIPAALSPGSCVRQQSQQLPPAQRKKYGKEEVPTVAAAETDAAVRNTQQPAVPSQQQQQQCQRADMKHHADVADVGSEDDDDDGGAAQGDNEQALSLAALHSQPPITRRHAPTAMLEADEDEDDDDGTAYDGVKTQVLFKPVNRAAYREVVASTWKPEGLTRRTNTAGSGSQQNRNSNSSSSASEYKDSPHHPNSSDDDEEAIATMATRNKTGRAAARTAPSMKVFRVPSFPYGGGVTEQQARILQRQFDECIHNGEHLSSNAAGPALITKRDFDSGNYTEVSAATAQMDTTSFQPTSPYEFVVEVERDVRFDAVKAREERRHRFRQLVREKRAPATMGTFNLRVIMDPFKTGFEEEKNFPIVPGTVIAGRYEIIQMLGKATFSRAVRCYDLQDPIYNEDEESDEGEYEDDVDDDDANSATASPADGTENVACIGKGGVTTASCRGSDTATTASASKQQVKSVNTATKSRLKPKRRILGYGQVCLKIINNTKDFFDQSLDEIRLLTLLNRQKDPDDAHIVRLIDAFYYKEHVMLVTELLRDTLYDYGKYNREEEKEFYFTLPRLRRLTRQIVEALTYVHSLNLIHTDLKPENIMFVSYSRCIVKVIDFGSSCFLSDHLSSYIQSRSYRAPEVVLGCDYDGRIDVWSLGAILVEMVTGDVLFTSDTVPEMLARIVYVCGTPFPRRMLWEGRHTSDYINKFGCIYEYGGGADGQHDRPEKGDTDDGEEPYCLYTPVPTMAPHTCASSRKSRAAAAVPPPPRTTTAPYSVLREKLAAANMVDEEFIAFVEACLMLDHKKRPTSAELLEHPFIRDVVL
Consensus
[pKd Mean = 3.80]		-810
(s=0)		22
(s=0)		MLEATNAARRRTSSIEQRNSYEALMHAIENRVNGDTVNITSIESKDAAASTGGYAAAPATATAAPKHVDPMATNGISQSEMLSAHLTEQLTDIPAALSPGSCVRQQSQQLPPAQRKKYGKEEVPTVAAAETDAAVRNTQQPAVPSQQQQQQCQRADMKHHADVADVGSEDDDDDGGAAQGDNEQALSLAALHSQPPITRRHAPTAMLEADEDEDDDDGTAYDGVKTQVLFKPVNRAAYREVVASTWKPEGLTRRTNTAGSGSQQNRNSNSSSSASEYKDSPHHPNSSDDDEEAIATMATRNKTGRAAARTAPSMKVFRVPSFPYGGGVTEQQARILQRQFDECIHNGEHLSSNAAGPALITKRDFDSGNYTEVSAATAQMDTTSFQPTSPYEFVVEVERDVRFDAVKAREERRHRFRQLVREKRAPATMGTFNLRVIMDPFKTGFEEEKNFPIVPGTVIAGRYEIIQMLGKATFSRAVRCYDLQDPIYNEDEESDEGEYEDDVDDDDANSATASPADGTENVACIGKGGVTTASCRGSDTATTASASKQQVKSVNTATKSRLKPKRRILGYGQVCLKIINNTKDFFDQSLDEIRLLTLLNRQKDPDDAHIVRLIDAFYYKEHVMLVTELLRDTLYDYGKYNREEEKEFYFTLPRLRRLTRQIVEALTYVHSLNLIHTDLKPENIMFVSYSRCIVKVIDFGSSCFLSDHLSSYIQSRSYRAPEVVLGCDYDGRIDVWSLGAILVEMVTGDVLFTSDTVPEMLARIVYVCGTPFPRRMLWEGRHTSDYINKFGCIYEYGGGADGQHDRPEKGDTDDGEEPYCLYTPVPTMAPHTCASSRKSRAAAAVPPPPRTTTAPYSVLREKLAAANMVDEEFIAFVEACLMLDHKKRPTSAELLEHPFIRDVVL



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]
VAL574CA311[N], 2[C],
VAL574C813[N], 5[C],
VAL574O613[N], 3[C],
CYS575N1013[N], 7[C],
CYS575O1213[N], 9[C],
CYS575CB1514[N], 11[C],
CYS575C1213[N], 9[C],
CYS575CA1213[N], 9[C],
CYS575SG1514[N], 11[C],
LEU576O911[N], 8[C],
LEU576CA818[C],
LEU576N1213[N], 9[C],
LEU576C1212[N], 10[C],
LYS577C311[N], 2[C],
LYS577N1111[N], 10[C],
LYS577NZ1011[N], 9[C],
LYS577CE1011[N], 9[C],
LYS577CB1011[N], 9[C],
LYS577CA1011[N], 9[C],
LYS577CD1011[N], 9[C],
LYS577CG1011[N], 9[C],
ILE579CD1211[C], 1[N],
GLU592CD711[N], 6[C],
GLU592OE2711[N], 6[C],
GLU592CG311[N], 2[C],
GLU592CB111[N],
GLU592OE1711[N], 6[C],
LEU596CD1311[N], 2[C],
LEU596CG211[N], 1[C],
LEU596CD2211[N], 1[C],
VAL611O212[C],
VAL611CB1413[N], 11[C],
VAL611C515[C],
VAL611CG11212[N], 10[C],
VAL611CA611[N], 5[C],
VAL611N313[C],
VAL611CG21413[N], 11[C],
ARG612O515[C],
ARG612C111[C],
ARG612N212[C],
LEU613CD1111[C],
LEU625C313[C],
LEU625CD2211[N], 1[C],
LEU625CG111[N],
LEU625O611[N], 5[C],
LEU625CB311[N], 2[C],
VAL626O212[C],
VAL626CA111[C],
VAL626C515[C],
THR627CA1213[N], 9[C],
THR627CB1514[N], 11[C],
THR627N912[N], 7[C],
THR627CG21413[N], 11[C],
THR627C912[N], 7[C],
THR627OG11514[N], 11[C],
THR627O1013[N], 7[C],
GLU628CA511[N], 4[C],
GLU628N811[N], 7[C],
GLU628C913[N], 6[C],
GLU628O1213[N], 9[C],
GLU628CB411[N], 3[C],
GLU628OE2411[N], 3[C],
GLU628CD411[N], 3[C],
GLU628OE1111[C],
GLU628CG611[N], 5[C],
LEU629N813[N], 5[C],
LEU629CG713[N], 4[C],
LEU629CD2513[N], 2[C],
LEU629CD1913[N], 6[C],
LEU629O813[N], 5[C],
LEU629CA1013[N], 7[C],
LEU629CB813[N], 5[C],
LEU629C913[N], 6[C],
LEU630O913[N], 6[C],
LEU630N1113[N], 8[C],
LEU630CD11414[N], 10[C],
LEU630CD2813[N], 5[C],
LEU630CG1213[N], 9[C],
LEU630CB1113[N], 8[C],
LEU630CA913[N], 6[C],
LEU630C913[N], 6[C],
ARG631O1013[N], 7[C],
ARG631CB311[C], 2[N],
ARG631CD111[N],
ARG631CA613[N], 3[C],
ARG631C813[N], 5[C],
ARG631N713[N], 4[C],
ARG631CG111[N],
ASP632O312[N], 1[C],
ASP632CA411[C], 3[N],
ASP632CB111[N],
ASP632C512[C], 3[N],
ASP632N512[C], 3[N],
ASP632OD1211[N], 1[C],
ASP632CG111[N],
THR633CB512[N], 3[C],
THR633CG21213[N], 9[C],
THR633N613[C], 3[N],
THR633CA512[N], 3[C],
THR633OG1111[N],
ASP636OD2111[N],
GLU682C414[C],
GLU682O812[N], 6[C],
ASN683N212[C],
ASN683ND2311[N], 2[C],
ASN683CB411[N], 3[C],
ASN683CA611[N], 5[C],
ASN683OD1711[N], 6[C],
ASN683CG511[N], 4[C],
ASN683O611[N], 5[C],
ASN683C414[C],
MET685SD1514[N], 11[C],
MET685C411[C], 3[N],
MET685CG1514[N], 11[C],
MET685CA813[N], 5[C],
MET685CE1514[N], 11[C],
MET685CB1213[N], 9[C],
MET685N211[N], 1[C],
PHE686O513[N], 2[C],
PHE686C311[C], 2[N],
PHE686N111[N],
VAL687O212[N],
TYR689CD1311[C], 2[N],
TYR689CZ411[C], 3[N],
TYR689CG111[N],
TYR689CE1411[C], 3[N],
VAL696C711[N], 6[C],
VAL696O711[N], 6[C],
ILE697CB1413[N], 11[C],
ILE697N1011[N], 9[C],
ILE697CG11413[N], 11[C],
ILE697CD11514[N], 11[C],
ILE697CA1111[N], 10[C],
ILE697CG21514[N], 11[C],
ILE697C1011[N], 9[C],
ILE697O811[N], 7[C],
ASP698OD2411[N], 3[C],
ASP698N1011[N], 9[C],
ASP698CB811[N], 7[C],
ASP698C611[N], 5[C],
ASP698CG611[N], 5[C],
ASP698OD1611[N], 5[C],
ASP698O411[N], 3[C],
ASP698CA811[N], 7[C],
PHE699CB111[N],
PHE699CD1311[N], 2[C],
PHE699CE1311[N], 2[C],
PHE699C111[N],
PHE699N511[N], 4[C],
PHE699CA311[N], 2[C],
PHE699CG111[N],
GLY700N211[C], 1[N],
Total = 152



Download csv file of statistical distribution of contacts