Binding Site Information :
Doc...
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 :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: 1L7_A_2(4JIN) / Model_2(4JIN/A) = [4.3] Download1025.7136.93MRFAKDAELLQYMVPGSTLADIVSSEEDADDYDAYFDAPAAKAEGVSGVVPGEGSAGTGTNAQGVATSLSKFQPAQHKNADAKVLGRIHIDDYYDGHGSGGGASGGAQSNQRVLNELRDMTMSSRFAQNAASKNVDRSERATVENVLDPRTRLILYKLVNSGILSEINGCVSTGKEANVYYAVSGDGSPAALKVYKTSILSFKDRDQYVSGEFRFQRYCKSNPRKMVRTWAEKEARNLIRLQDGGVLAPAVKLLRQHVLIMEFLGEDGWPAPRLKEVTFPSAKALDKCYLDLCCTMRKMYARSHLIHGDLSEYNLLLYRGRVVVIDVSQSVEYDHPRSMSFLRRDIVNVNSFFRSRGLTGLFTLQDLFHFITADPAKSGWQRCQGPPNDEELMARLKEIRDDYGEGGAVPVDAEQAKVDEQVFLNITVPRSLNEICDRAGPNKEVAVFVEGMTAAPAAAQTEDHSGADGEGDGDGDDEDSEADDADSPMKAKAAPQAVLANMTKEERKEHRKAVKEANREKRAEKKKNNANRKKKGRK
Complex: XYA_A_2(1ZTF) / Model_3(1ZTF/A) = [3.5] Download865.7238.81MRFAKDAELLQYMVPGSTLADIVSSEEDADDYDAYFDAPAAKAEGVSGVVPGEGSAGTGTNAQGVATSLSKFQPAQHKNADAKVLGRIHIDDYYDGHGSGGGASGGAQSNQRVLNELRDMTMSSRFAQNAASKNVDRSERATVENVLDPRTRLILYKLVNSGILSEINGCVSTGKEANVYYAVSGDGSPAALKVYKTSILSFKDRDQYVSGEFRFQRYCKSNPRKMVRTWAEKEARNLIRLQDGGVLAPAVKLLRQHVLIMEFLGEDGWPAPRLKEVTFPSAKALDKCYLDLCCTMRKMYARSHLIHGDLSEYNLLLYRGRVVVIDVSQSVEYDHPRSMSFLRRDIVNVNSFFRSRGLTGLFTLQDLFHFITADPAKSGWQRCQGPPNDEELMARLKEIRDDYGEGGAVPVDAEQAKVDEQVFLNITVPRSLNEICDRAGPNKEVAVFVEGMTAAPAAAQTEDHSGADGEGDGDGDDEDSEADDADSPMKAKAAPQAVLANMTKEERKEHRKAVKEANREKRAEKKKNNANRKKKGRK
Consensus
[pKd Mean = 3.90]		-945
(s=79)		37
(s=1)		MRFAKDAELLQYMVPGSTLADIVSSEEDADDYDAYFDAPAAKAEGVSGVVPGEGSAGTGTNAQGVATSLSKFQPAQHKNADAKVLGRIHIDDYYDGHGSGGGASGGAQSNQRVLNELRDMTMSSRFAQNAASKNVDRSERATVENVLDPRTRLILYKLVNSGILSEINGCVSTGKEANVYYAVSGDGSPAALKVYKTSILSFKDRDQYVSGEFRFQRYCKSNPRKMVRTWAEKEARNLIRLQDGGVLAPAVKLLRQHVLIMEFLGEDGWPAPRLKEVTFPSAKALDKCYLDLCCTMRKMYARSHLIHGDLSEYNLLLYRGRVVVIDVSQSVEYDHPRSMSFLRRDIVNVNSFFRSRGLTGLFTLQDLFHFITADPAKSGWQRCQGPPNDEELMARLKEIRDDYGEGGAVPVDAEQAKVDEQVFLNITVPRSLNEICDRAGPNKEVAVFVEGMTAAPAAAQTEDHSGADGEGDGDGDDEDSEADDADSPMKAKAAPQAVLANMTKEERKEHRKAVKEANREKRAEKKKNNANRKKKGRK



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]
VAL171CG22523[O], 5[N], 17[C],
VAL171CA2123[O], 3[N], 15[C],
VAL171CB2823[O], 5[N], 20[C],
VAL171O2124[O], 3[N], 14[C],
VAL171N1423[O], 3[N], 8[C],
VAL171C2324[O], 3[N], 16[C],
VAL171CG13225[O], 6[N], 21[C],
SER172O1923[O], 2[N], 14[C],
SER172OG3025[O], 5[N], 20[C],
SER172C2225[O], 2[N], 15[C],
SER172N2725[O], 4[N], 18[C],
SER172CA2525[O], 3[N], 17[C],
SER172CB3225[O], 6[N], 21[C],
THR173CA722[O], 5[C],
THR173N1423[O], 11[C],
THR173O1322[O], 1[N], 10[C],
THR173C1122[O], 1[N], 8[C],
GLY174CA721[N], 6[C],
GLY174N721[N], 6[C],
GLY174C621[N], 5[C],
GLY174O321[N], 2[C],
LYS175C421[N], 3[C],
LYS175O221[N], 1[C],
LYS175CA221[N], 1[C],
LYS175N621[N], 5[C],
LYS175CB221[N], 1[C],
GLU176N621[N], 5[C],
GLU176OE2321[N], 2[C],
GLU176O421[N], 3[C],
GLU176CG321[N], 2[C],
GLU176CD521[N], 4[C],
GLU176CB621[N], 5[C],
GLU176CA421[N], 3[C],
GLU176C621[N], 5[C],
GLU176OE1621[N], 5[C],
ALA177O1523[O], 1[N], 11[C],
ALA177N721[N], 6[C],
ALA177CB1022[N], 8[C],
ALA177CA821[N], 7[C],
ALA177C1121[O], 1[N], 9[C],
ASN178CA1022[O], 1[N], 7[C],
ASN178CG222[C],
ASN178O1222[O], 2[N], 8[C],
ASN178C1622[O], 2[N], 12[C],
ASN178N921[O], 1[N], 7[C],
ASN178OD1222[C],
ASN178CB222[C],
VAL179CB3825[O], 8[N], 25[C],
VAL179CG13625[O], 7[N], 24[C],
VAL179C2022[O], 4[N], 14[C],
VAL179CG23925[O], 8[N], 26[C],
VAL179N2022[O], 4[N], 14[C],
VAL179O1923[O], 3[N], 13[C],
VAL179CA2622[O], 5[N], 19[C],
TYR180C621[N], 5[C],
TYR180O1524[N], 11[C],
TYR180CA121[C],
TYR180N1222[O], 3[N], 7[C],
TYR181CE2321[N], 2[C],
TYR181CD2522[N], 3[C],
TYR181CB121[C],
TYR181N222[C],
TYR181CA323[C],
ALA191C321[N], 2[C],
ALA191O622[N], 4[C],
LEU192N1225[N], 7[C],
LEU192C721[N], 6[C],
LEU192O1021[O], 1[N], 8[C],
LEU192CA424[C],
LYS193C322[C], 1[N],
LYS193CB2322[O], 6[N], 15[C],
LYS193CE2624[O], 5[N], 17[C],
LYS193CD2523[O], 5[N], 17[C],
LYS193CA1321[O], 3[N], 9[C],
LYS193CG2323[O], 5[N], 15[C],
LYS193N825[C], 3[N],
LYS193NZ2824[O], 5[N], 19[C],
VAL194O321[N], 2[C],
VAL194C222[C],
VAL194N222[C],
TYR195CE2624[C], 2[N],
TYR195CZ725[C], 2[N],
TYR195CD2321[N], 2[C],
TYR195CD1421[N], 3[C],
TYR195CE1621[N], 5[C],
TYR195N121[C],
TYR195CA221[N], 1[C],
TYR195CB121[C],
TYR195CG321[N], 2[C],
ARG205NE421[N], 3[C],
ARG205CD221[C], 1[N],
ARG205CZ621[N], 5[C],
GLU234CG221[C], 1[N],
GLU234OE11022[N], 8[C],
GLU234CD1123[N], 8[C],
GLU234CB121[N],
GLU234OE22021[O], 5[N], 14[C],
LEU238CD2321[C], 2[N],
LEU238CG121[N],
LEU238CD1321[C], 2[N],
ALA248O121[N],
ALA248C421[N], 3[C],
ALA248CA121[N],
PRO249C421[N], 3[C],
PRO249CG20213[C], 7[N],
PRO249CD17212[C], 5[N],
PRO249CB17211[C], 6[N],
PRO249CA923[N], 6[C],
PRO249N923[N], 6[C],
PRO249O321[N], 2[C],
ALA250N321[N], 2[C],
ALA250C121[N],
ALA250O321[N], 2[C],
LEU259CD2221[C], 1[N],
LEU259CG121[N],
ILE260C121[N],
MET261O1223[N], 9[C],
MET261SD2327[N], 16[C],
MET261C1223[N], 9[C],
MET261CB1127[C], 4[N],
MET261N521[N], 4[C],
MET261CG20213[C], 7[N],
MET261CA822[N], 6[C],
MET261CE3223[O], 7[N], 22[C],
GLU262CG722[N], 5[C],
GLU262C1424[N], 10[C],
GLU262N1023[N], 7[C],
GLU262OE1321[N], 2[C],
GLU262O1826[N], 12[C],
GLU262CB822[N], 6[C],
GLU262OE2221[N], 1[C],
GLU262CD622[N], 4[C],
GLU262CA1022[N], 8[C],
PHE263N1424[N], 10[C],
PHE263CA1725[N], 12[C],
PHE263CZ1524[N], 11[C],
PHE263CE21926[N], 13[C],
PHE263CD11323[N], 10[C],
PHE263CB1524[N], 11[C],
PHE263O1323[N], 10[C],
PHE263C1625[N], 11[C],
PHE263CG1625[N], 11[C],
PHE263CD21926[N], 13[C],
PHE263CE11223[N], 9[C],
LEU264O2121[O], 6[N], 14[C],
LEU264CA1725[N], 12[C],
LEU264CG1625[N], 11[C],
LEU264CD11223[N], 9[C],
LEU264CD21725[N], 12[C],
LEU264C1625[N], 11[C],
LEU264N1826[N], 12[C],
LEU264CB1826[N], 12[C],
GLY265N1323[N], 10[C],
GLY265CA822[N], 6[C],
GLY265C521[N], 4[C],
GLY265O321[N], 2[C],
GLU266N222[C],
TRP269O522[N], 3[C],
TRP269C522[N], 3[C],
TRP269CA121[C],
PRO270O721[O], 2[N], 4[C],
PRO270N1221[O], 3[N], 8[C],
PRO270CA1721[O], 3[N], 13[C],
PRO270C1521[O], 3[N], 11[C],
PRO270CD1221[O], 3[N], 8[C],
PRO270CB2623[O], 6[N], 17[C],
PRO270CG2223[O], 4[N], 15[C],
ALA271O1823[O], 3[N], 12[C],
ALA271N1721[O], 3[N], 13[C],
ALA271CB922[N], 7[C],
ALA271CA921[O], 2[N], 6[C],
ALA271C821[O], 2[N], 5[C],
PRO272C221[O], 1[C],
PRO272N121[O],
PRO272CA121[O],
ARG273CZ1024[O], 1[N], 5[C],
ARG273CB422[O], 2[C],
ARG273CA322[O], 1[C],
ARG273NE924[O], 5[C],
ARG273CG422[O], 2[C],
ARG273N322[O], 1[C],
ARG273CD422[O], 2[C],
GLU276OE1422[O], 2[C],
GLU276CD422[O], 2[C],
GLU276CG121[O],
GLU276OE2422[O], 2[C],
HIS307CE1222[C],
HIS307NE2222[C],
GLU312O121[O],
TYR313C1124[O], 7[C],
TYR313O1825[O], 1[N], 12[C],
TYR313CA322[O], 1[C],
TYR313CB322[O], 1[C],
TYR313N121[O],
TYR313CG121[O],
TYR313CD2121[O],
ASN314CG722[O], 5[C],
ASN314O1022[O], 1[N], 7[C],
ASN314OD1222[O],
ASN314CA1724[O], 1[N], 12[C],
ASN314ND2622[O], 4[C],
ASN314N822[O], 6[C],
ASN314CB1523[O], 1[N], 11[C],
ASN314C922[O], 7[C],
LEU316N222[O],
LEU316C121[O],
LEU316O121[O],
LEU316CA121[O],
LEU317N121[O],
LEU317CD23025[O], 6[N], 19[C],
LEU317CB2022[O], 5[N], 13[C],
LEU317CG3125[O], 6[N], 20[C],
LEU317CD13225[O], 7[N], 20[C],
VAL323CG2221[N], 1[C],
VAL323CB622[N], 4[C],
VAL323CG11223[N], 9[C],
VAL324O926[C], 3[N],
VAL324C926[C], 3[N],
ILE325CG23325[O], 7[N], 21[C],
ILE325CD13725[O], 7[N], 25[C],
ILE325N2022[O], 5[N], 13[C],
ILE325CA3424[O], 7[N], 23[C],
ILE325CG13725[O], 7[N], 25[C],
ILE325O3824[O], 8[N], 26[C],
ILE325C3524[O], 7[N], 24[C],
ILE325CB3525[O], 7[N], 23[C],
ASP326C1521[O], 3[N], 11[C],
ASP326OD21422[O], 2[N], 10[C],
ASP326CA2724[O], 6[N], 17[C],
ASP326N3124[O], 6[N], 21[C],
ASP326CG1923[O], 4[N], 12[C],
ASP326O1021[O], 2[N], 7[C],
ASP326OD11822[O], 4[N], 12[C],
ASP326CB2624[O], 5[N], 17[C],
VAL327CA221[C], 1[N],
VAL327C121[N],
VAL327CB121[N],
VAL327CG2121[N],
VAL327N1121[O], 3[N], 7[C],
VAL327CG1121[N],
SER328C322[C], 1[N],
SER328N624[C], 2[N],
SER328CA523[C], 2[N],
SER328CB826[C], 2[N],
SER328O121[C],
SER328OG1121[O], 2[N], 8[C],
GLN329N523[C], 2[N],
GLN329CD322[C], 1[N],
GLN329CG322[C], 1[N],
GLN329CA322[C], 1[N],
GLN329OE1621[N], 5[C],
GLN329NE2322[C], 1[N],
GLN329CB421[N], 3[C],
Total = 253



Download csv file of statistical distribution of contacts