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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: NACID_C_2(1L3U) / Model_45(1L3U/A) = [12.8] Download--MDKKKLLLIDGSSVAFRAFFALYQQLDRFKNAAGLHTNAIYGFQLMLSHLLERVEPSHILVAFDAGKTTFRTEMYADYKGGRAKTPDEFREQFPFIRELLDHMGIRHYELAQYEADDIIGTLDKLAEQDGFDITIVSGDKDLIQLTDEHTVVEISKKGVAEFEAFTPDYLMEEMGLTPAQFIDLKALMGDKSDNIPGVTKVGEKTGIKLLLEHGSLEGIYENIDGMKTSKMKENLINDKEQAFLSKTLATIDTKAPIAIGLEDLVYSGPDVENLGKFYDEMGFKQLKQALNMSSADVAEGLDFTIVDQISQDMLSEESIFHFELFGENYHTDNLVGFAWSCGDQLYATDKLELLQDPIFKDFLEKTSLRVYDFKKVKVLLQRFGVDLQAPAFDIRLAKYLLSTVEDNEIATIASLYGQTYLVDDETFYGKGVKKAIPEREKFLEHLACKLAVLVETEPILLEKLSENGQLELLYDMEQPLAFVLAKMEIAGIVVKKETLLEMQAENELVIEKLTQEIYELAGEEFNVNSPKQLGVLLFEKLGLPLEYTKKTKTGYSTAVDVLERLAPIAPIVKKILDYRQIAKIQSTYVIGLQDWILADGKIHTRYVQDLTQTGRLSSVDPNLQNIPARLEQGRLIRKAFVPEWEDSVLLSSDYSQIELRVLAHISKDEHLIKAFQEGADIHTSTAMRVFGIERPDNVTANDRRNAKAVNFGVVYGISDFGLSNNLGISRKEAKAYIDTYFERFPGIKNYMDEVVREARDKGYVETLFKRRRELPDINSRNFNIRGFAERTAINSPIQGSAADILKIAMIQLDKALVAGGYQTKMLLQVHDEIVLEVPKSELVEMKKLVKQTMEEAIQLSVPLIADENEGATWYEAK
Consensus
[pKd Mean = 12.80]		-0
(s=0)		0
(s=0)		MDKKKLLLIDGSSVAFRAFFALYQQLDRFKNAAGLHTNAIYGFQLMLSHLLERVEPSHILVAFDAGKTTFRTEMYADYKGGRAKTPDEFREQFPFIRELLDHMGIRHYELAQYEADDIIGTLDKLAEQDGFDITIVSGDKDLIQLTDEHTVVEISKKGVAEFEAFTPDYLMEEMGLTPAQFIDLKALMGDKSDNIPGVTKVGEKTGIKLLLEHGSLEGIYENIDGMKTSKMKENLINDKEQAFLSKTLATIDTKAPIAIGLEDLVYSGPDVENLGKFYDEMGFKQLKQALNMSSADVAEGLDFTIVDQISQDMLSEESIFHFELFGENYHTDNLVGFAWSCGDQLYATDKLELLQDPIFKDFLEKTSLRVYDFKKVKVLLQRFGVDLQAPAFDIRLAKYLLSTVEDNEIATIASLYGQTYLVDDETFYGKGVKKAIPEREKFLEHLACKLAVLVETEPILLEKLSENGQLELLYDMEQPLAFVLAKMEIAGIVVKKETLLEMQAENELVIEKLTQEIYELAGEEFNVNSPKQLGVLLFEKLGLPLEYTKKTKTGYSTAVDVLERLAPIAPIVKKILDYRQIAKIQSTYVIGLQDWILADGKIHTRYVQDLTQTGRLSSVDPNLQNIPARLEQGRLIRKAFVPEWEDSVLLSSDYSQIELRVLAHISKDEHLIKAFQEGADIHTSTAMRVFGIERPDNVTANDRRNAKAVNFGVVYGISDFGLSNNLGISRKEAKAYIDTYFERFPGIKNYMDEVVREARDKGYVETLFKRRRELPDINSRNFNIRGFAERTAINSPIQGSAADILKIAMIQLDKALVAGGYQTKMLLQVHDEIVLEVPKSELVEMKKLVKQTMEEAIQLSVPLIADENEGATWYEAK



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]
TYR399CZ111[O],
TYR399CE1111[O],
THR403CG2411[P], 3[O],
THR403OG1111[O],
ASN526ND224111[C], 10[O], 2[P], 1[N],
ASN526CG2119[O], 10[C], 2[P],
ASN526OD12119[C], 10[O], 2[P],
ASN528CG2118[O], 9[C], 2[P], 2[N],
ASN528ND22011[N], 8[C], 9[O], 2[P],
ASN528OD11811[P], 7[C], 7[O], 3[N],
SER529OG22110[O], 9[C], 2[P], 1[N],
PRO530CG2011[P], 6[O], 9[C], 4[N],
PRO530CD2715[N], 1[P], 11[C], 10[O],
LYS531CG1112[P], 3[C], 6[O],
LYS531CD1719[O], 6[C], 2[P],
LYS531NZ1417[O], 6[C], 1[P],
LYS531CE1216[O], 4[C], 2[P],
GLN532OE1714[O], 2[C], 1[P],
GLN532NE21712[P], 8[C], 7[O],
GLN532CD1115[O], 5[C], 1[P],
GLN532CG911[P], 4[C], 4[O],
TYR578CE2212[O],
TYR578CZ212[O],
LYS583CG411[C], 2[O], 1[N],
LYS583NZ37121[C], 6[O], 10[N],
LYS583CD1513[O], 7[C], 5[N],
LYS583CE2013[O], 9[C], 8[N],
GLN585CG111[O],
SER586OG2018[O], 11[C], 1[P],
THR587OG13812[P], 11[O], 18[C], 7[N],
THR587CG229114[C], 9[O], 1[P], 5[N],
TYR588CD1111[C],
TYR588CZ512[N], 1[O], 2[C],
TYR588CE1311[O], 1[C], 1[N],
TYR588CE2411[N], 2[O], 1[C],
ILE590CG1312[O], 1[P],
ILE590CD1711[P], 4[O], 2[C],
ILE590CG21015[O], 3[C], 2[P],
ASP594CG413[O], 1[P],
ASP594OD1111[O],
ASP594OD2911[P], 2[C], 6[O],
TRP595CD2511[P], 4[O],
TRP595CD11116[O], 3[C], 2[P],
TRP595CZ3111[O],
TRP595CE21212[P], 3[C], 7[O],
TRP595NE11417[O], 5[C], 2[P],
TRP595CG611[P], 1[C], 4[O],
TRP595CZ21216[O], 4[C], 2[P],
TRP595CE3111[O],
THR604OG1212[O],
ARG605CZ111[O],
VAL607CG2915[O], 3[C], 1[P],
VAL607CG1614[O], 1[C], 1[P],
LEU610CD22219[O], 10[C], 2[P], 1[N],
LEU610CD11812[P], 8[C], 8[O],
LEU610CG1712[P], 6[C], 9[O],
THR611OG11611[P], 7[O], 8[C],
THR611CG22813[N], 10[O], 13[C], 2[P],
GLN612OE1611[P], 5[O],
GLN612CD1111[P], 6[O], 4[C],
GLN612CG1619[O], 5[C], 2[P],
GLN612NE2812[C], 5[O], 1[P],
THR613CG22612[N], 2[P], 11[C], 11[O],
THR613OG12512[N], 10[O], 11[C], 2[P],
ARG615CZ2416[N], 4[O], 14[C],
ARG615CD2213[N], 1[P], 13[C], 5[O],
ARG615NE19111[C], 4[O], 4[N],
ARG615CG1511[P], 8[C], 4[O], 2[N],
SER617OG1911[P], 8[O], 10[C],
SER618OG713[O], 3[C], 1[P],
VAL619CG12311[N], 2[P], 9[O], 11[C],
VAL619CG21417[O], 5[C], 2[P],
ASP620CG1111[P], 6[O], 4[C],
ASP620OD11512[P], 6[C], 7[O],
ASP620OD2714[O], 2[C], 1[P],
PRO621CG211[C], 1[O],
PRO621CD211[O], 1[C],
ASN622CG34110[O], 17[C], 2[P], 5[N],
ASN622ND24818[N], 12[O], 26[C], 2[P],
ASN622OD12612[N], 2[P], 9[O], 13[C],
GLN624OE11612[N], 6[O], 7[C], 1[P],
GLN624CG212[C],
GLN624CD614[C], 2[O],
ASN625OD12211[P], 6[O], 11[C], 4[N],
ASN625ND23818[N], 8[O], 21[C], 1[P],
ASN625CG2516[N], 14[C], 5[O],
GLU658CD412[C], 1[O], 1[N],
GLU658OE1913[O], 4[C], 2[N],
GLU658CG111[O],
GLU658OE2512[N], 1[O], 2[C],
VAL709CG2311[C], 1[O], 1[N],
VAL709CG1211[C], 1[O],
PHE711CD2311[C], 2[N],
PHE711CE1612[O], 2[C], 2[N],
PHE711CD11115[N], 2[O], 4[C],
PHE711CG613[N], 2[C], 1[O],
PHE711CE2111[N],
VAL713CG2411[N], 1[O], 2[C],
VAL714CG1812[O], 5[C], 1[N],
TYR715CD14018[N], 21[C], 10[O], 1[P],
TYR715CE141123[C], 8[O], 1[P], 9[N],
TYR715CG4018[N], 10[O], 21[C], 1[P],
TYR715CZ3811[P], 20[C], 7[O], 10[N],
TYR715CD23918[N], 9[O], 21[C], 1[P],
TYR715CE23711[P], 20[C], 7[O], 9[N],
ILE717CG11111[O], 6[C], 4[N],
ILE717CD11415[N], 2[O], 7[C],
ILE717CG2811[O], 5[C], 2[N],
SER718OG1613[N], 9[C], 4[O],
ASP719OD1111[N],
PHE720CZ111[O],
PHE720CD2714[C], 2[O], 1[N],
PHE720CE2412[O], 2[C],
PHE720CG311[C], 2[O],
PHE720CE1111[O],
PHE720CD1111[O],
LEU722CD2812[N], 1[O], 5[C],
LEU722CD11111[O], 5[C], 5[N],
LEU722CG1111[O], 5[C], 5[N],
ASN724ND2412[C], 2[O],
ASN724OD1111[O],
ASN724CG211[C], 1[O],
ASN725ND21115[N], 5[C], 1[O],
ASN725OD1914[C], 1[O], 4[N],
ASN725CG1014[C], 1[O], 5[N],
LEU726CD1311[C], 1[O], 1[N],
LEU726CG311[N], 1[C], 1[O],
LEU726CD2311[N], 1[O], 1[C],
ILE737CD1714[C], 1[O], 2[N],
ILE737CG1511[O], 3[C], 1[N],
ILE737CG2111[N],
ARG772CG111[O],
ARG772NE1312[P], 4[C], 7[O],
ARG772CD811[P], 2[C], 5[O],
ARG772CZ1712[P], 7[C], 8[O],
LEU774CD2111[O],
PHE787CD11212[P], 3[C], 7[O],
PHE787CE22411[N], 12[C], 9[O], 2[P],
PHE787CZ2112[P], 9[C], 10[O],
PHE787CE11312[P], 3[C], 8[O],
PHE787CD220110[O], 8[C], 2[P],
PHE787CG1417[O], 5[C], 2[P],
ARG790CZ2113[N], 7[O], 10[C], 1[P],
ARG790CD2413[N], 1[P], 8[O], 12[C],
ARG790NE2713[N], 14[C], 9[O], 1[P],
ARG790CG2012[N], 7[O], 10[C], 1[P],
THR791OG11718[O], 7[C], 2[P],
THR791CG21211[P], 5[O], 6[C],
ASN794CG2718[O], 14[C], 2[P], 3[N],
ASN794OD12911[P], 9[O], 15[C], 4[N],
ASN794ND22413[N], 7[O], 13[C], 1[P],
SER795OG1115[C], 5[O], 1[P],
GLN798NE23912[P], 12[O], 19[C], 6[N],
GLN798CG2116[O], 11[C], 4[N],
GLN798OE13615[N], 2[P], 12[O], 17[C],
GLN798CD3215[N], 16[C], 9[O], 2[P],
HIS830NE217111[C], 2[O], 4[N],
HIS830CG512[N], 3[C],
HIS830CE11614[N], 3[O], 9[C],
HIS830CD21015[C], 2[O], 3[N],
HIS830ND1816[C], 1[O], 1[N],
Total = 161



Download csv file of statistical distribution of contacts