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 :C6_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 C6_S1
Complex: HEM_A_3(1SK7) / Model_5(1SK7/A) = [9.4] Download791.8640.96MMNSSTEQIISNSLSLRLKQETAAEHERMHQLMSEAKVFSSKEKYAQFTLSQYYFQLEIEHLFEKEGVAGLIPDLDIRGRSKQALADLNDLGIQPNGQQLQSENVQLPEALGWIYVSEGSTLGAAFLFKEAQKHLGFSETFAARNLAAYPEGRAKVWKRFVKALDEAGFDQTQQDRVVQGALDAFGYFGQALDQLDELK
Consensus
[pKd Mean = 9.40]		-791
(s=0)		40
(s=0)		MMNSSTEQIISNSLSLRLKQETAAEHERMHQLMSEAKVFSSKEKYAQFTLSQYYFQLEIEHLFEKEGVAGLIPDLDIRGRSKQALADLNDLGIQPNGQQLQSENVQLPEALGWIYVSEGSTLGAAFLFKEAQKHLGFSETFAARNLAAYPEGRAKVWKRFVKALDEAGFDQTQQDRVVQGALDAFGYFGQALDQLDELK



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]
SER15CB111[C],
SER15C111[C],
SER15O212[C],
SER15CA111[C],
LEU18CA111[C],
LEU18CB212[C],
LEU18CD1111[C],
LEU18O515[C],
LEU18C313[C],
LYS19CD313[C],
LYS19CE414[C],
LYS19O414[C],
LYS19N414[C],
LYS19CA515[C],
LYS19C212[C],
LYS19CB414[C],
LYS19NZ212[C],
LYS19CG616[C],
GLN20N111[C],
THR22C616[C],
THR22CB717[C],
THR22O911[N], 8[C],
THR22OG1817[C], 1[N],
THR22CG2616[C],
THR22CA313[C],
GLU25O611[N], 5[C],
GLU25C411[N], 3[C],
HIS26CE13211[F], 4[N], 27[C],
HIS26NE233128[C], 1[F], 4[N],
HIS26CA1911[F], 4[N], 14[C],
HIS26CD23114[N], 1[F], 26[C],
HIS26ND129124[C], 4[N], 1[F],
HIS26N1112[N], 1[F], 8[C],
HIS26CB2414[N], 1[F], 19[C],
HIS26CG3111[F], 4[N], 26[C],
HIS26C17112[C], 1[F], 4[N],
HIS26O20115[C], 4[N], 1[F],
GLU27N312[N], 1[F],
MET29CB1511[F], 3[N], 11[C],
MET29N817[C], 1[N],
MET29SD717[C],
MET29C1612[N], 1[F], 13[C],
MET29CG1011[N], 9[C],
MET29CE817[C], 1[N],
MET29O1412[N], 12[C],
MET29CA1212[N], 10[C],
HIS30N1511[F], 2[N], 12[C],
HIS30CB19114[C], 1[O], 3[N], 1[F],
HIS30CG19113[C], 2[O], 3[N], 1[F],
HIS30CD21211[N], 2[O], 9[C],
HIS30O1011[N], 1[O], 8[C],
HIS30NE21312[O], 10[C], 1[N],
HIS30ND12111[F], 3[N], 2[O], 15[C],
HIS30C1019[C], 1[N],
HIS30CA1711[F], 3[N], 13[C],
HIS30CE11813[N], 1[F], 12[C], 2[O],
GLN31C111[C],
GLN31CA111[C],
GLN31N515[C],
LEU32C111[C],
LEU32N111[C],
MET33C212[C],
MET33CE14111[C], 2[O], 1[N],
MET33N414[C],
MET33SD1012[O], 8[C],
MET33O111[C],
MET33CA414[C],
MET33CB1211[O], 10[C], 1[N],
MET33CG1311[N], 11[C], 1[O],
SER34N411[O], 3[C],
SER34CA211[O], 1[C],
SER34OG711[O], 6[C],
SER34CB211[O], 1[C],
VAL38CG2111[C],
PHE39CZ412[O], 2[C],
PHE39CE1512[O], 3[C],
PHE39CE2111[O],
PHE39CG111[O],
PHE39CD1211[O], 1[C],
PHE48CD2111[C],
PHE48CG212[C],
PHE48CE1616[C],
PHE48CE2313[C],
PHE48CZ818[C],
PHE48CD1212[C],
SER51CB111[C],
GLN52CG111[C],
GLN52NE2414[C],
GLN52CB111[C],
GLN52CA111[C],
GLN52OE1817[C], 1[N],
GLN52CD616[C],
PHE55CZ616[C],
PHE55CA111[C],
PHE55CB313[C],
PHE55CE2616[C],
PHE55CD2515[C],
PHE55CD1313[C],
PHE55CE1414[C],
PHE55CG414[C],
GLY112O111[C],
TRP113O212[C],
ILE114O212[C],
ILE114C111[C],
TYR115CZ811[N], 7[C],
TYR115CD2817[C], 1[N],
TYR115CE2817[C], 1[N],
TYR115CG616[C],
TYR115N212[C],
TYR115C1019[C], 1[N],
TYR115CE1616[C],
TYR115O1111[N], 10[C],
TYR115CB515[C],
TYR115CD1515[C],
TYR115CA515[C],
VAL116O17114[C], 2[N], 1[F],
VAL116N11110[C], 1[N],
VAL116CB1412[N], 12[C],
VAL116CG11711[F], 2[N], 14[C],
VAL116CG21111[N], 10[C],
VAL116CA1412[N], 12[C],
VAL116C16114[C], 2[N],
SER117O1212[N], 10[C],
SER117N1111[N], 10[C],
SER117C911[N], 8[C],
SER117CA818[C],
SER117OG111[C],
SER117CB313[C],
GLU118CB414[C],
GLU118O1219[C], 1[F], 2[N],
GLU118C1212[N], 10[C],
GLU118N919[C],
GLU118CA616[C],
GLY119N16112[C], 3[N], 1[F],
GLY119CA2214[N], 1[F], 17[C],
GLY119C26121[C], 1[F], 4[N],
GLY119O30125[C], 4[N], 1[F],
SER120CB22117[C], 1[F], 4[N],
SER120OG17113[C], 3[N], 1[F],
SER120CA27122[C], 1[F], 4[N],
SER120C2611[F], 4[N], 21[C],
SER120O29124[C], 4[N], 1[F],
SER120N2411[F], 4[N], 19[C],
THR121OG1514[C], 1[N],
THR121O1214[N], 1[F], 7[C],
THR121N23118[C], 4[N], 1[F],
THR121C1914[N], 1[F], 14[C],
THR121CA1511[F], 4[N], 10[C],
LEU122C3013[O], 22[C], 1[F], 4[N],
LEU122N26121[C], 1[F], 4[N],
LEU122CD12214[N], 1[F], 16[C], 1[O],
LEU122O3414[N], 1[F], 25[C], 4[O],
LEU122CG2311[F], 4[N], 1[O], 17[C],
LEU122CA27120[C], 2[O], 4[N], 1[F],
LEU122CD21811[F], 2[N], 1[O], 14[C],
LEU122CB2711[F], 4[N], 2[O], 20[C],
GLY123N2411[F], 4[N], 3[O], 16[C],
GLY123CA2411[F], 3[N], 4[O], 16[C],
GLY123C2314[O], 16[C], 1[F], 2[N],
GLY123O22115[C], 4[O], 2[N], 1[F],
ALA124O412[O], 2[C],
ALA124CB111[C],
ALA124N21114[C], 4[O], 2[N], 1[F],
ALA124C412[O], 2[C],
ALA124CA1211[N], 2[O], 9[C],
ALA125N513[C], 2[O],
ALA125CB111[O],
ALA125C412[C], 2[O],
ALA125CA111[O],
ALA125O311[C], 2[O],
LEU127CD11812[N], 4[O], 12[C],
LEU127CB1514[O], 11[C],
LEU127C612[O], 4[C],
LEU127CA914[O], 5[C],
LEU127N914[O], 5[C],
LEU127CD21016[C], 4[O],
LEU127O512[O], 3[C],
LEU127CG1414[O], 10[C],
PHE128CZ2012[O], 14[C], 1[F], 3[N],
PHE128CA816[C], 2[O],
PHE128N816[C], 2[O],
PHE128CE124118[C], 2[O], 3[N], 1[F],
PHE128CB1018[C], 2[O],
PHE128CE21412[O], 11[C], 1[N],
PHE128CG1219[C], 2[O], 1[N],
PHE128C412[O], 2[C],
PHE128O211[C], 1[O],
PHE128CD11912[O], 13[C], 1[F], 3[N],
PHE128CD21211[N], 9[C], 2[O],
LYS129N412[O], 2[C],
GLU130OE1111[O],
ALA131CB311[C], 2[O],
ALA131N111[O],
ALA131CA111[O],
ARG153NE312[C], 1[O],
ARG153CD111[O],
ARG153CZ412[C], 2[O],
TRP157CD1414[C],
TRP157CB212[C],
TRP157CE3811[N], 7[C],
TRP157CZ21019[C], 1[N],
TRP157CG515[C],
TRP157CE2919[C],
TRP157NE1717[C],
TRP157CZ3811[N], 7[C],
TRP157CD2717[C],
PHE160CE2111[C],
PHE160CD2111[C],
VAL161CG2212[C],
ALA181C111[C],
ALA181CA111[C],
ALA181CB111[C],
ALA181O313[C],
ALA184N111[C],
ALA184CA212[C],
ALA184CB212[C],
ALA184C313[C],
ALA184O515[C],
PHE185CE117114[C], 2[N], 1[F],
PHE185CD115113[C], 2[N],
PHE185CA717[C],
PHE185CZ2111[F], 4[N], 16[C],
PHE185CB818[C],
PHE185CE221116[C], 1[F], 4[N],
PHE185N414[C],
PHE185CD21511[F], 2[N], 12[C],
PHE185CG1312[N], 11[C],
PHE185C515[C],
PHE185O515[C],
GLY186N212[C],
TYR187CA111[C],
TYR187N111[C],
TYR187C111[C],
TYR187CB111[C],
TYR187O111[C],
PHE188CD1817[C], 1[N],
PHE188O313[C],
PHE188CD21011[N], 9[C],
PHE188C515[C],
PHE188CG811[N], 7[C],
PHE188CE21019[C], 1[N],
PHE188N414[C],
PHE188CB817[C], 1[N],
PHE188CE1817[C], 1[N],
PHE188CA515[C],
PHE188CZ817[C], 1[N],
GLY189N414[C],
GLY189CA212[C],
LEU192CD1515[C],
LEU192CG313[C],
LEU192CB111[C],
LEU192CD2111[C],
Total = 252



Download csv file of statistical distribution of contacts