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 :C4_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 C4_S1
Complex: NACID_F_4(1LV5) / Model_31(1LV5/B) = [12.8] Download--MTKNKLLLVDGNSVAFRAFFPLHNSLERFKNRNGLHTNAIYAFNTMFENVMQKEQPTHVLVAFDAGKTTFRTEMYAEYKGGRSKTPGEFKEQMPYIRDLLTGLGVQYYELPNYEADDIIGTLAEKVDKDQFDVVVLSGDRDLTQLASKEVKVDITVKGVSDIESYTPEHVAEKYDGLTPKQIIDMKGLAGDASDNIPGVTKIGEKTAIKLLKQYGSVEGIYEHIDEMKQSKMKENLINDKEQAFLSKKLATINTSAPVDVSIDSLKYEGKNLDKLVPFYKEMDFNQFLSKLNIVEEEVKMDDILFEVVHEFKEEMFTTDMALYVEMMGDNYHTEEIVGVAWGTEKKIYVTNDLSVFENRAFHSWITDPTRLKKVYDAKRTYVALNRYTGKTKGIDFDVLLGAYLLDTNEKSTDIEGIAAHYGYNDIQSDEAVYGKGAKKGLPEEEELFFAHLARKVAAINALTPKLSQELAEKNQEDLFRKMELPLSIILAEMEISGIKVDATRLQEMKGEFSARLREIEQKIYEEAGEEFNLNSPKQLGVILFEKMGLPVIKKTKTGYSTAVDVLEQLREQAPIVEDILTYRQIAKIQSTYVEGLLKVIQSDGKVHTRYVQTLTQTGRLSSVDPNLQNIPIRLDEGRKIRQAFVPREKDWLIYSSDYSQIELRVLAHISNDEHLKAAFLEGQDIHASTAMRVFGIEKAEDVTPNMRRQAKAVNFGIVYGISDYGLSQNLGISRKAAQQYIDTYFEKYPGVKEYMERIVREAKDQGYVETLYHRRRYLPDINSRNYNIRSFAERTAINTPIQGSAADILKIAMIELDKRLKETGLQATMLLQVHDELVFEVPEKELESLDKLVKEVMEQAVSLHVPLITDSSWGKTWYEAK
Complex: NACID_D_2(1LV5) / Model_31(1LV5/B) = [3.6] Download--MTKNKLLLVDGNSVAFRAFFPLHNSLERFKNRNGLHTNAIYAFNTMFENVMQKEQPTHVLVAFDAGKTTFRTEMYAEYKGGRSKTPGEFKEQMPYIRDLLTGLGVQYYELPNYEADDIIGTLAEKVDKDQFDVVVLSGDRDLTQLASKEVKVDITVKGVSDIESYTPEHVAEKYDGLTPKQIIDMKGLAGDASDNIPGVTKIGEKTAIKLLKQYGSVEGIYEHIDEMKQSKMKENLINDKEQAFLSKKLATINTSAPVDVSIDSLKYEGKNLDKLVPFYKEMDFNQFLSKLNIVEEEVKMDDILFEVVHEFKEEMFTTDMALYVEMMGDNYHTEEIVGVAWGTEKKIYVTNDLSVFENRAFHSWITDPTRLKKVYDAKRTYVALNRYTGKTKGIDFDVLLGAYLLDTNEKSTDIEGIAAHYGYNDIQSDEAVYGKGAKKGLPEEEELFFAHLARKVAAINALTPKLSQELAEKNQEDLFRKMELPLSIILAEMEISGIKVDATRLQEMKGEFSARLREIEQKIYEEAGEEFNLNSPKQLGVILFEKMGLPVIKKTKTGYSTAVDVLEQLREQAPIVEDILTYRQIAKIQSTYVEGLLKVIQSDGKVHTRYVQTLTQTGRLSSVDPNLQNIPIRLDEGRKIRQAFVPREKDWLIYSSDYSQIELRVLAHISNDEHLKAAFLEGQDIHASTAMRVFGIEKAEDVTPNMRRQAKAVNFGIVYGISDYGLSQNLGISRKAAQQYIDTYFEKYPGVKEYMERIVREAKDQGYVETLYHRRRYLPDINSRNYNIRSFAERTAINTPIQGSAADILKIAMIELDKRLKETGLQATMLLQVHDELVFEVPEKELESLDKLVKEVMEQAVSLHVPLITDSSWGKTWYEAK
Consensus
[pKd Mean = 8.20]		-0
(s=0)		0
(s=0)		MTKNKLLLVDGNSVAFRAFFPLHNSLERFKNRNGLHTNAIYAFNTMFENVMQKEQPTHVLVAFDAGKTTFRTEMYAEYKGGRSKTPGEFKEQMPYIRDLLTGLGVQYYELPNYEADDIIGTLAEKVDKDQFDVVVLSGDRDLTQLASKEVKVDITVKGVSDIESYTPEHVAEKYDGLTPKQIIDMKGLAGDASDNIPGVTKIGEKTAIKLLKQYGSVEGIYEHIDEMKQSKMKENLINDKEQAFLSKKLATINTSAPVDVSIDSLKYEGKNLDKLVPFYKEMDFNQFLSKLNIVEEEVKMDDILFEVVHEFKEEMFTTDMALYVEMMGDNYHTEEIVGVAWGTEKKIYVTNDLSVFENRAFHSWITDPTRLKKVYDAKRTYVALNRYTGKTKGIDFDVLLGAYLLDTNEKSTDIEGIAAHYGYNDIQSDEAVYGKGAKKGLPEEEELFFAHLARKVAAINALTPKLSQELAEKNQEDLFRKMELPLSIILAEMEISGIKVDATRLQEMKGEFSARLREIEQKIYEEAGEEFNLNSPKQLGVILFEKMGLPVIKKTKTGYSTAVDVLEQLREQAPIVEDILTYRQIAKIQSTYVEGLLKVIQSDGKVHTRYVQTLTQTGRLSSVDPNLQNIPIRLDEGRKIRQAFVPREKDWLIYSSDYSQIELRVLAHISNDEHLKAAFLEGQDIHASTAMRVFGIEKAEDVTPNMRRQAKAVNFGIVYGISDYGLSQNLGISRKAAQQYIDTYFEKYPGVKEYMERIVREAKDQGYVETLYHRRRYLPDINSRNYNIRSFAERTAINTPIQGSAADILKIAMIELDKRLKETGLQATMLLQVHDELVFEVPEKELESLDKLVKEVMEQAVSLHVPLITDSSWGKTWYEAK



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]
TYR403CE1121[O],
THR407OG1121[O],
ASN408OD1222[O],
LYS410CE121[O],
ASN532ND223211[C], 9[O], 2[P], 1[N],
ASN532OD11922[P], 9[C], 8[O],
ASN532CG2022[P], 9[O], 9[C],
ASN534ND21421[P], 6[C], 7[O],
ASN534CG1722[P], 8[O], 7[C],
ASN534OD11627[O], 7[C], 2[P],
SER535OG1828[O], 7[C], 1[N], 2[P],
PRO536CG1724[O], 10[C], 3[N],
PRO536CD2725[N], 2[P], 6[O], 14[C],
LYS537CG1125[O], 5[C], 1[P],
LYS537CD1922[P], 7[O], 10[C],
LYS537NZ1327[O], 5[C], 1[P],
LYS537CE1827[O], 9[C], 2[P],
GLN538OE1924[O], 4[C], 1[P],
GLN538CD1427[O], 6[C], 1[P],
GLN538NE21822[P], 8[O], 8[C],
GLN538CG1121[P], 4[O], 6[C],
LYS553CE522[C], 2[O], 1[N],
LYS553NZ521[N], 2[O], 2[C],
LYS556CE1929[C], 1[O], 9[N],
LYS556CG1027[N], 2[C], 1[O],
LYS556NZ23210[N], 1[O], 12[C],
LYS556CD1221[O], 5[C], 6[N],
THR557CG2121[C],
LYS587CG422[O], 2[C],
LYS587CD222[O],
LYS587NZ2825[O], 15[C], 8[N],
LYS587CE1023[N], 4[O], 3[C],
SER590OG1927[C], 9[O], 2[P], 1[N],
THR591CG225210[O], 12[C], 2[N], 1[P],
THR591OG13322[P], 5[N], 15[C], 11[O],
TYR592CE2321[O], 2[C],
TYR592CD2121[C],
TYR592CE1321[C], 2[O],
TYR592CZ521[N], 2[O], 2[C],
GLU594OE1321[P], 2[O],
GLU594CD121[O],
LYS598CD121[O],
LYS598CG121[O],
LYS598CE322[O], 1[P],
LYS598NZ322[O], 1[P],
VAL599CG2121[O],
THR608OG1222[O],
VAL611CG2821[P], 4[O], 3[C],
VAL611CG1621[P], 4[O], 1[C],
LEU614CG1622[P], 9[O], 5[C],
LEU614CD22022[P], 9[C], 9[O],
LEU614CD11622[P], 7[O], 7[C],
THR615CG22822[P], 2[N], 13[C], 11[O],
THR615OG11727[O], 9[C], 1[P],
GLN616OE1521[P], 4[O],
GLN616CG1625[C], 9[O], 2[P],
GLN616NE2721[P], 2[C], 4[O],
GLN616CD1124[C], 6[O], 1[P],
THR617CG227212[O], 12[C], 1[N], 2[P],
THR617OG12421[N], 2[P], 11[O], 10[C],
ARG619NE1926[O], 10[C], 3[N],
ARG619CZ2526[N], 14[C], 5[O],
ARG619CG1629[C], 5[O], 1[P], 1[N],
ARG619CD2323[N], 1[P], 6[O], 13[C],
SER621OG19210[C], 8[O], 1[P],
SER622OG623[C], 3[O],
VAL623CG12121[N], 2[P], 9[O], 9[C],
VAL623CG21226[O], 4[C], 2[P],
ASP624OD2121[O],
ASP624CG524[O], 1[P],
ASP624OD1821[P], 1[C], 6[O],
PRO625CD121[O],
PRO625CG121[O],
ASN626CG3222[P], 4[N], 16[C], 10[O],
ASN626OD126210[O], 11[C], 3[N], 2[P],
ASN626ND24327[N], 2[P], 11[O], 23[C],
GLN628OE11627[C], 6[O], 1[P], 2[N],
GLN628CD624[C], 2[O],
GLN628CG222[C],
ASN629OD123211[C], 6[O], 1[P], 5[N],
ASN629CG26214[C], 6[O], 6[N],
ASN629ND241223[C], 8[O], 1[P], 9[N],
GLU662CG121[N],
GLU662OE1621[N], 3[O], 2[C],
GLU662CD421[N], 2[C], 1[O],
GLU662OE21225[N], 3[O], 4[C],
LYS711CG121[O],
PHE715CD21225[N], 2[O], 5[C],
PHE715CE1423[N], 1[C],
PHE715CD1823[N], 1[O], 4[C],
PHE715CG1326[N], 5[C], 2[O],
PHE715CZ321[C], 2[N],
PHE715CE2622[C], 1[O], 3[N],
VAL718CG2724[N], 3[C],
TYR719CE11529[C], 2[O], 4[N],
TYR719CD12325[O], 13[C], 5[N],
TYR719CG32218[C], 6[O], 1[P], 7[N],
TYR719CE22426[N], 15[C], 3[O],
TYR719CD233219[C], 7[O], 7[N],
TYR719CZ1725[N], 10[C], 2[O],
ILE721CG21721[P], 3[N], 8[C], 5[O],
ILE721CG12421[P], 3[N], 14[C], 6[O],
ILE721CD12521[P], 4[N], 13[C], 7[O],
SER722OG2921[N], 2[P], 13[O], 13[C],
ASP723OD11221[P], 7[O], 4[C],
ASP723OD2121[O],
ASP723CG323[O],
TYR724CE21727[C], 7[O], 1[P], 2[N],
TYR724CD22222[N], 1[P], 9[O], 10[C],
TYR724CE11221[P], 5[C], 6[O],
TYR724CZ1321[P], 6[C], 6[O],
TYR724CG1621[P], 1[N], 7[C], 7[O],
TYR724CD11225[C], 6[O], 1[P],
ASN729ND21123[O], 5[C], 2[N], 1[P],
ASN729CG621[N], 2[O], 3[C],
ASN729OD1321[O], 1[C], 1[N],
ARG734CG421[P], 3[O],
ARG734CD521[P], 3[O], 1[C],
ARG734NE322[O], 1[P],
ILE741CD1121[O],
ARG776CD825[O], 2[C], 1[P],
ARG776CZ1829[O], 7[C], 2[P],
ARG776CG221[C], 1[O],
ARG776NE1322[P], 4[C], 7[O],
LEU778CD2121[O],
ASN785OD1422[C], 1[O], 1[N],
TYR786CE22022[N], 1[P], 6[O], 11[C],
TYR786CZ1326[C], 6[O], 1[P],
TYR786CE11024[C], 5[O], 1[P],
TYR786CD21922[N], 1[P], 6[O], 10[C],
TYR786CG1125[O], 4[C], 1[N], 1[P],
TYR786CD1821[P], 4[O], 3[C],
ASN787ND228216[C], 4[O], 8[N],
ASN787OD136219[C], 8[O], 1[P], 8[N],
ASN787CG3221[P], 8[N], 16[C], 7[O],
SER790OG1321[P], 5[O], 7[C],
PHE791CG2222[P], 3[N], 10[C], 7[O],
PHE791CE23826[N], 2[P], 12[O], 18[C],
PHE791CD129211[O], 13[C], 3[N], 2[P],
PHE791CE132214[C], 13[O], 2[P], 3[N],
PHE791CZ3625[N], 3[P], 11[O], 17[C],
PHE791CD22824[N], 2[P], 11[O], 11[C],
GLU793OE1121[O],
ARG794CD40219[C], 15[O], 3[P], 3[N],
ARG794NE4123[P], 2[N], 20[C], 16[O],
ARG794CG26212[O], 10[C], 1[N], 3[P],
ARG794CZ3823[P], 2[N], 18[C], 15[O],
THR795OG11822[P], 9[O], 7[C],
THR795CG21427[O], 6[C], 1[P],
ASN798ND23727[N], 2[P], 8[O], 20[C],
ASN798OD137210[O], 19[C], 6[N], 2[P],
ASN798CG3622[P], 6[N], 19[C], 9[O],
THR799CG2121[C],
THR799OG11521[P], 8[C], 6[O],
GLN802OE140219[C], 11[O], 2[P], 8[N],
GLN802NE236212[O], 17[C], 5[N], 2[P],
GLN802CD3222[P], 5[N], 16[C], 9[O],
GLN802CG2124[N], 6[O], 11[C],
HIS834CE12025[N], 3[O], 12[C],
HIS834NE22124[O], 12[C], 5[N],
HIS834CD2822[O], 6[C],
HIS834CG522[O], 3[C],
HIS834ND11226[C], 2[O], 4[N],
Total = 163



Download csv file of statistical distribution of contacts