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 :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: JZK_B_4(3JZF) / Model_49(3JZF/B) = [9.1] Download856.5922.07MKFSKILVANRGEIAVRVMQTAKAMGYQTVAVYSDADRNARHVQEADEAVYIGASKVSESYLSIAKIIEACKKTGADAVHPGYGFLSENTDFAQACIDNQITFIGPTASAIELMGSKRLSKIAMIEAGVPCVPGYEGDRQDLEYLATQAEQIGFPIMVKASAGGGGRGMRLVQQASELFEALQTARSEAENAFGSGELILEKAVIAPRHVEIQVFGDTHGNYVYLFERDCSIQRRHQKVVEEAPCPVMTPELRQKMGEAAVAAAKTCAYVGAGTVEFLLDASGAFYFLEMNTRLQVEHPVTELITGLDLVEWQLRVANGEQLPLKQQELTLNGHAIEVRLYAEDPRQDFLPQTGKILRWKPAALPNVRIDHGMLATDEVSPFYDPMVAKVIAYGKTREDAIRLLARAVDDSVLLGVNSNKQFLVNLLRHPVVVAGDTNTAFIQQHFKNDPSLHYQVLSLETLAIAAALFSQSKGPAVWQTGLGVPLPLKLQTADQQIQLQLSSVNNTFTVQFCEQVVCIDVLEKTPEQLVYLIDGVRRRVQYVLDDDQLYLDRDNGNVLIRNMTYAAPEATDVAGDGKIRAPMDGAVVNILVNEGDQVVKGQTLLILEAMKIQQQIKSDVDGVVDEILGQQGQQVKKRQMLFSIQI
Complex: JZL_A_3(3JZI) / Model_15(3JZI/A) = [8.2] Download808.4125.17MKFSKILVANRGEIAVRVMQTAKAMGYQTVAVYSDADRNARHVQEADEAVYIGASKVSESYLSIAKIIEACKKTGADAVHPGYGFLSENTDFAQACIDNQITFIGPTASAIELMGSKRLSKIAMIEAGVPCVPGYEGDRQDLEYLATQAEQIGFPIMVKASAGGGGRGMRLVQQASELFEALQTARSEAENAFGSGELILEKAVIAPRHVEIQVFGDTHGNYVYLFERDCSIQRRHQKVVEEAPCPVMTPELRQKMGEAAVAAAKTCAYVGAGTVEFLLDASGAFYFLEMNTRLQVEHPVTELITGLDLVEWQLRVANGEQLPLKQQELTLNGHAIEVRLYAEDPRQDFLPQTGKILRWKPAALPNVRIDHGMLATDEVSPFYDPMVAKVIAYGKTREDAIRLLARAVDDSVLLGVNSNKQFLVNLLRHPVVVAGDTNTAFIQQHFKNDPSLHYQVLSLETLAIAAALFSQSKGPAVWQTGLGVPLPLKLQTADQQIQLQLSSVNNTFTVQFCEQVVCIDVLEKTPEQLVYLIDGVRRRVQYVLDDDQLYLDRDNGNVLIRNMTYAAPEATDVAGDGKIRAPMDGAVVNILVNEGDQVVKGQTLLILEAMKIQQQIKSDVDGVVDEILGQQGQQVKKRQMLFSIQI
Complex: AP2_A_2(2VQD) / Model_93(2VQD/A) = [7.2] Download794.3120.85MKFSKILVANRGEIAVRVMQTAKAMGYQTVAVYSDADRNARHVQEADEAVYIGASKVSESYLSIAKIIEACKKTGADAVHPGYGFLSENTDFAQACIDNQITFIGPTASAIELMGSKRLSKIAMIEAGVPCVPGYEGDRQDLEYLATQAEQIGFPIMVKASAGGGGRGMRLVQQASELFEALQTARSEAENAFGSGELILEKAVIAPRHVEIQVFGDTHGNYVYLFERDCSIQRRHQKVVEEAPCPVMTPELRQKMGEAAVAAAKTCAYVGAGTVEFLLDASGAFYFLEMNTRLQVEHPVTELITGLDLVEWQLRVANGEQLPLKQQELTLNGHAIEVRLYAEDPRQDFLPQTGKILRWKPAALPNVRIDHGMLATDEVSPFYDPMVAKVIAYGKTREDAIRLLARAVDDSVLLGVNSNKQFLVNLLRHPVVVAGDTNTAFIQQHFKNDPSLHYQVLSLETLAIAAALFSQSKGPAVWQTGLGVPLPLKLQTADQQIQLQLSSVNNTFTVQFCEQVVCIDVLEKTPEQLVYLIDGVRRRVQYVLDDDQLYLDRDNGNVLIRNMTYAAPEATDVAGDGKIRAPMDGAVVNILVNEGDQVVKGQTLLILEAMKIQQQIKSDVDGVVDEILGQQGQQVKKRQMLFSIQI
Complex: L23_A_4(2W71) / Model_56(2W71/A) = [6.6] Download859.0627.58MKFSKILVANRGEIAVRVMQTAKAMGYQTVAVYSDADRNARHVQEADEAVYIGASKVSESYLSIAKIIEACKKTGADAVHPGYGFLSENTDFAQACIDNQITFIGPTASAIELMGSKRLSKIAMIEAGVPCVPGYEGDRQDLEYLATQAEQIGFPIMVKASAGGGGRGMRLVQQASELFEALQTARSEAENAFGSGELILEKAVIAPRHVEIQVFGDTHGNYVYLFERDCSIQRRHQKVVEEAPCPVMTPELRQKMGEAAVAAAKTCAYVGAGTVEFLLDASGAFYFLEMNTRLQVEHPVTELITGLDLVEWQLRVANGEQLPLKQQELTLNGHAIEVRLYAEDPRQDFLPQTGKILRWKPAALPNVRIDHGMLATDEVSPFYDPMVAKVIAYGKTREDAIRLLARAVDDSVLLGVNSNKQFLVNLLRHPVVVAGDTNTAFIQQHFKNDPSLHYQVLSLETLAIAAALFSQSKGPAVWQTGLGVPLPLKLQTADQQIQLQLSSVNNTFTVQFCEQVVCIDVLEKTPEQLVYLIDGVRRRVQYVLDDDQLYLDRDNGNVLIRNMTYAAPEATDVAGDGKIRAPMDGAVVNILVNEGDQVVKGQTLLILEAMKIQQQIKSDVDGVVDEILGQQGQQVKKRQMLFSIQI
Complex: LZJ_B_5(2V58) / Model_76(2V58/B) = [6.2] Download850.8820.04MKFSKILVANRGEIAVRVMQTAKAMGYQTVAVYSDADRNARHVQEADEAVYIGASKVSESYLSIAKIIEACKKTGADAVHPGYGFLSENTDFAQACIDNQITFIGPTASAIELMGSKRLSKIAMIEAGVPCVPGYEGDRQDLEYLATQAEQIGFPIMVKASAGGGGRGMRLVQQASELFEALQTARSEAENAFGSGELILEKAVIAPRHVEIQVFGDTHGNYVYLFERDCSIQRRHQKVVEEAPCPVMTPELRQKMGEAAVAAAKTCAYVGAGTVEFLLDASGAFYFLEMNTRLQVEHPVTELITGLDLVEWQLRVANGEQLPLKQQELTLNGHAIEVRLYAEDPRQDFLPQTGKILRWKPAALPNVRIDHGMLATDEVSPFYDPMVAKVIAYGKTREDAIRLLARAVDDSVLLGVNSNKQFLVNLLRHPVVVAGDTNTAFIQQHFKNDPSLHYQVLSLETLAIAAALFSQSKGPAVWQTGLGVPLPLKLQTADQQIQLQLSSVNNTFTVQFCEQVVCIDVLEKTPEQLVYLIDGVRRRVQYVLDDDQLYLDRDNGNVLIRNMTYAAPEATDVAGDGKIRAPMDGAVVNILVNEGDQVVKGQTLLILEAMKIQQQIKSDVDGVVDEILGQQGQQVKKRQMLFSIQI
Consensus
[pKd Mean = 7.46]		-833
(s=27)		23
(s=2)		MKFSKILVANRGEIAVRVMQTAKAMGYQTVAVYSDADRNARHVQEADEAVYIGASKVSESYLSIAKIIEACKKTGADAVHPGYGFLSENTDFAQACIDNQITFIGPTASAIELMGSKRLSKIAMIEAGVPCVPGYEGDRQDLEYLATQAEQIGFPIMVKASAGGGGRGMRLVQQASELFEALQTARSEAENAFGSGELILEKAVIAPRHVEIQVFGDTHGNYVYLFERDCSIQRRHQKVVEEAPCPVMTPELRQKMGEAAVAAAKTCAYVGAGTVEFLLDASGAFYFLEMNTRLQVEHPVTELITGLDLVEWQLRVANGEQLPLKQQELTLNGHAIEVRLYAEDPRQDFLPQTGKILRWKPAALPNVRIDHGMLATDEVSPFYDPMVAKVIAYGKTREDAIRLLARAVDDSVLLGVNSNKQFLVNLLRHPVVVAGDTNTAFIQQHFKNDPSLHYQVLSLETLAIAAALFSQSKGPAVWQTGLGVPLPLKLQTADQQIQLQLSSVNNTFTVQFCEQVVCIDVLEKTPEQLVYLIDGVRRRVQYVLDDDQLYLDRDNGNVLIRNMTYAAPEATDVAGDGKIRAPMDGAVVNILVNEGDQVVKGQTLLILEAMKIQQQIKSDVDGVVDEILGQQGQQVKKRQMLFSIQI



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]
GLU88OE19167[O], 2[P],
GLU88CD8162[P], 6[O],
GLU88CG3162[O], 1[P],
GLU88OE29162[P], 7[O],
LYS117CD871638[O], 1[F], 25[C], 8[N], 13[P],
LYS117CE1111615[P], 11[N], 33[C], 2[F], 48[O],
LYS117NZ1411616[N], 15[P], 55[O], 2[F], 51[C],
LYS117CG621610[P], 5[N], 17[C], 1[F], 27[O],
SER120OG2161[C],
LYS121NZ64165[O], 36[C], 1[P], 20[N],
LYS121CG5161[O], 2[C],
LYS121CE41164[O], 16[C], 18[N], 1[P],
LYS121CD7164[C], 1[O],
VAL132CG1117163[O], 66[C], 48[N],
VAL132CG21431678[C], 4[O], 61[N],
PRO133CD151615[N],
PRO155CG2161[O], 1[N],
MET157CE2821627[O], 177[C], 1[P], 74[N], 1[S],
MET157CG221161[S], 72[N], 13[O], 134[C],
MET157SD299161[B], 186[C], 31[O], 4[P], 75[N], 1[S],
LYS159CD2671630[O], 153[C], 8[P], 73[N], 1[S],
LYS159CE31916178[C], 49[O], 1[B], 1[S], 75[N], 11[P],
LYS159CG235161[S], 72[N], 7[P], 127[C], 26[O],
LYS159NZ334161[F], 185[C], 56[O], 1[B], 75[N], 1[S], 11[P],
SER161OG3163[C],
ARG167CG37162[F], 14[C], 16[O], 2[N], 3[P],
ARG167CZ13165[O], 6[C], 1[P], 1[N],
ARG167NE20163[N], 2[P], 7[C], 8[O],
ARG167CD27162[F], 10[C], 10[O], 3[N], 2[P],
MET169SD3701672[N], 1[S], 13[P], 67[O], 210[C], 1[F], 1[B],
MET169CG2731646[N], 1[S], 12[P], 44[O], 167[C], 1[B],
MET169CE352161[B], 205[C], 64[O], 12[P], 66[N], 1[S],
LEU171CD287164[O], 53[C], 30[N],
LEU171CG651621[N], 41[C], 3[O],
LEU171CD11001634[N], 61[C], 5[O],
PHE193CZ18163[P], 7[O], 8[C],
PHE193CD23163[O],
PHE193CE211162[P], 5[O], 4[C],
PHE193CD14163[C], 1[O],
PHE193CG1161[O],
PHE193CE111161[P], 7[C], 3[O],
LEU198CD22162[C],
ILE199CD114162[O], 10[C],
ILE199CG19167[C],
GLU201CG1261666[C], 7[O], 53[N],
GLU201CD180169[O], 100[C], 2[P], 67[N],
GLU201OE2227164[P], 1[S], 74[N], 19[O], 127[C],
GLU201OE11541659[N], 2[P], 82[C], 9[O],
LYS202CG521620[C], 2[O], 30[N],
LYS202CD19161[O], 18[N],
VAL204CG11191670[C], 4[O], 45[N],
VAL204CG2142165[O], 79[C], 58[N],
ILE205CG28163[C], 5[N],
ILE205CG111166[N], 5[C],
PRO207CG257161[S], 66[N], 1[B], 19[O], 168[C],
PRO207CD195161[B], 134[C], 13[O], 46[N],
HIS209CG1311618[O], 97[C], 2[F], 1[P], 1[S], 10[N],
HIS209NE21431625[O], 97[C], 2[F], 3[P], 14[N],
HIS209CE1172161[S], 13[N], 8[P], 2[F], 107[C], 39[O],
HIS209ND11751612[N], 1[S], 7[P], 38[O], 2[F], 113[C],
HIS209CD21291616[O], 1[F], 94[C], 15[N], 1[P],
GLU211OE211161[P], 5[O], 2[C], 2[F],
GLU211OE11161[O],
GLU211CD1161[O],
SER231OG16162[O], 13[C],
GLN233NE2148164[N], 1[S], 2[P], 30[O], 2[F], 105[C], 1[B],
GLN233OE1164169[N], 1[S], 4[P], 108[C], 1[F], 37[O], 1[B],
GLN233CG92161[B], 15[O], 73[C],
GLN233CD138163[N], 1[S], 1[P], 101[C], 1[F], 27[O], 1[B],
HIS236NE22431648[O], 155[C], 1[B], 1[S], 29[N], 8[P],
HIS236CE1262167[P], 1[S], 32[N], 1[B], 168[C], 50[O],
HIS236CG2431660[O], 1[F], 141[C], 1[B], 1[S], 22[N], 14[P],
HIS236ND12731631[N], 1[S], 15[P], 58[O], 163[C], 1[F], 1[B],
HIS236CD22311622[N], 1[S], 12[P], 140[C], 1[F], 53[O], 1[B],
GLN237CG2162[O],
GLN237OE19162[P], 5[O], 1[F], 1[C],
GLN237NE21161[O],
GLN237CD3163[O],
LYS238CE64163[P], 21[O], 36[C], 2[F],
LYS238CD35162[P], 11[O], 20[C], 2[F],
LYS238NZ571628[C], 2[F], 22[O], 4[P],
LYS238CG461614[O], 29[C], 1[F], 2[P],
THR274CG21161[O],
GLU276CD124162[F], 52[C], 47[O], 1[S], 6[N], 14[P],
GLU276OE296163[N], 14[P], 2[F], 34[C], 41[O],
GLU276CG621625[O], 2[F], 22[C], 3[N], 8[P],
GLU276OE11951659[O], 96[C], 2[F], 16[P], 1[S], 17[N],
LEU278CG30116185[C], 36[O], 1[S], 74[N], 3[P],
LEU278CD2320164[P], 74[N], 1[S], 1[B], 39[O], 198[C],
LEU278CD13021638[O], 184[C], 1[S], 74[N], 3[P],
ASP280OD23162[N], 1[C],
TYR286CG191615[N], 4[C],
TYR286CD26166[N],
TYR286CD113161[C], 12[N],
PHE287CE21161[C],
PHE287CZ2161[C],
PHE287CD12161[C],
PHE287CE14161[C], 2[O],
LEU288CG32216179[C], 2[F], 52[O], 9[P], 75[N], 1[S],
LEU288CD1340169[P], 1[S], 75[N], 1[B], 1[F], 195[C], 54[O],
LEU288CD2324162[F], 179[C], 52[O], 75[N], 1[S], 11[P],
GLU289CD164161[S], 18[N], 16[P], 53[O], 2[F], 70[C],
GLU289OE11501616[P], 14[N], 1[S], 56[O], 58[C], 2[F],
GLU289CG1461649[O], 56[C], 2[F], 16[P], 18[N], 1[S],
GLU289OE21961621[N], 1[S], 16[P], 58[O], 2[F], 94[C],
ASN291OD145162[F], 4[C], 30[O], 9[P],
ASN291CG33166[P], 23[O], 2[C], 2[F],
ASN291ND2361625[O], 2[F], 2[C], 7[P],
ARG293NE9167[O], 2[P],
ARG293CG1161[O],
ARG293CZ15169[O], 1[C], 2[F], 3[P],
ARG293CD3163[O],
GLN295CD5164[O], 1[P],
GLN295OE19161[C], 2[F], 5[O], 1[P],
GLN295NE27161[C], 5[O], 1[P],
GLN295CG3161[P], 2[O],
GLU297CD1161[O],
GLU297OE12162[O],
GLU297OE21161[O],
THR439CG219116144[C], 19[O], 1[B], 1[S], 23[N],
THR439OG12081628[N], 1[S], 153[C], 22[O], 1[B],
GLN443CG4164[C],
GLN443CD181616[C],
GLN443NE233161[B], 27[C], 4[O],
GLN443OE1211617[C], 2[O],
Total = 125



Download csv file of statistical distribution of contacts