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 :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: NAP_B_11(4R4J) / Model_24(4R4J/B) = [10.4] Download1945.4111.76MREIDTCIVGATGLVGQTMLKVLEEYDFPVGRLKLLASKRSAGKVCVFKKKKHTVQELTETSFEGYDLALFSAGASVSKEFAPIARSQGLFVIDNSSAWREDSDIPLIVPEVNLEDYTLNRLIANPNCSTIQAVLPLKALQEAFGIQRVNYSTYQAVSGSGQKGIEDLHRTQNDEEPVLYPYNISQTVIPEIDQPLENGYTKEEQKMINETRKILHQPALPVSATCVRVPIENGHGVSVAVQLQKEFTTEEIRECLSQFPGIQLEDDLAAHKYPTSILARGTDMVYVGRIRKDTSLENGLLFYTTADNIRKGAAANAVQIAAALMQKIAEVAR
Complex: 4NO_A_3(4R41) / Model_16(4R41/A) = [4.6] Download858.633.78MREIDTCIVGATGLVGQTMLKVLEEYDFPVGRLKLLASKRSAGKVCVFKKKKHTVQELTETSFEGYDLALFSAGASVSKEFAPIARSQGLFVIDNSSAWREDSDIPLIVPEVNLEDYTLNRLIANPNCSTIQAVLPLKALQEAFGIQRVNYSTYQAVSGSGQKGIEDLHRTQNDEEPVLYPYNISQTVIPEIDQPLENGYTKEEQKMINETRKILHQPALPVSATCVRVPIENGHGVSVAVQLQKEFTTEEIRECLSQFPGIQLEDDLAAHKYPTSILARGTDMVYVGRIRKDTSLENGLLFYTTADNIRKGAAANAVQIAAALMQKIAEVAR
Complex: 3JL_B_9(4R4J) / Model_24(4R4J/B) = [3.8] Download905.232.30MREIDTCIVGATGLVGQTMLKVLEEYDFPVGRLKLLASKRSAGKVCVFKKKKHTVQELTETSFEGYDLALFSAGASVSKEFAPIARSQGLFVIDNSSAWREDSDIPLIVPEVNLEDYTLNRLIANPNCSTIQAVLPLKALQEAFGIQRVNYSTYQAVSGSGQKGIEDLHRTQNDEEPVLYPYNISQTVIPEIDQPLENGYTKEEQKMINETRKILHQPALPVSATCVRVPIENGHGVSVAVQLQKEFTTEEIRECLSQFPGIQLEDDLAAHKYPTSILARGTDMVYVGRIRKDTSLENGLLFYTTADNIRKGAAANAVQIAAALMQKIAEVAR
Complex: P4F_A_4(3Q11) / Model_12(3Q11/A) = [3.2] Download670.934.16MREIDTCIVGATGLVGQTMLKVLEEYDFPVGRLKLLASKRSAGKVCVFKKKKHTVQELTETSFEGYDLALFSAGASVSKEFAPIARSQGLFVIDNSSAWREDSDIPLIVPEVNLEDYTLNRLIANPNCSTIQAVLPLKALQEAFGIQRVNYSTYQAVSGSGQKGIEDLHRTQNDEEPVLYPYNISQTVIPEIDQPLENGYTKEEQKMINETRKILHQPALPVSATCVRVPIENGHGVSVAVQLQKEFTTEEIRECLSQFPGIQLEDDLAAHKYPTSILARGTDMVYVGRIRKDTSLENGLLFYTTADNIRKGAAANAVQIAAALMQKIAEVAR
Consensus
[pKd Mean = 5.50]		-1095
(s=498)		5
(s=3)		MREIDTCIVGATGLVGQTMLKVLEEYDFPVGRLKLLASKRSAGKVCVFKKKKHTVQELTETSFEGYDLALFSAGASVSKEFAPIARSQGLFVIDNSSAWREDSDIPLIVPEVNLEDYTLNRLIANPNCSTIQAVLPLKALQEAFGIQRVNYSTYQAVSGSGQKGIEDLHRTQNDEEPVLYPYNISQTVIPEIDQPLENGYTKEEQKMINETRKILHQPALPVSATCVRVPIENGHGVSVAVQLQKEFTTEEIRECLSQFPGIQLEDDLAAHKYPTSILARGTDMVYVGRIRKDTSLENGLLFYTTADNIRKGAAANAVQIAAALMQKIAEVAR



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]
ILE8CG2141[O],
VAL9CG11143[N], 2[O], 6[C],
VAL9CG2141[N],
THR12CG21144[C], 6[O], 1[P],
THR12OG121410[O], 7[C], 2[P], 2[N],
LEU14CG1342[P], 4[C], 7[O],
LEU14CD21342[P], 7[O], 4[C],
LEU14CD1745[O], 2[P],
VAL15CG12843[N], 9[O], 15[C], 1[P],
VAL15CG24341[F], 15[O], 22[C], 2[P], 3[N],
GLN17NE2141[O],
GLN17OE1141[O],
GLN17CG242[O],
GLN17CD242[O],
MET19CE443[O], 1[N],
MET19CG141[O],
MET19SD341[N], 2[O],
SER38OG2145[N], 9[C], 6[O], 1[P],
ARG40CG1443[N], 1[P], 4[O], 6[C],
ARG40NE841[N], 4[O], 2[C], 1[P],
ARG40CZ342[O], 1[P],
ARG40CD1142[N], 4[C], 4[O], 1[P],
SER41OG1442[N], 1[P], 5[O], 6[C],
LYS44CE242[O],
LYS44CD341[P], 2[O],
LYS44NZ342[O], 1[P],
VAL55CG2242[O],
VAL55CG1541[P], 4[O],
GLU57CD241[C], 1[N],
GLU57OE2442[C], 2[N],
GLU57CG442[N], 2[C],
LEU58CD1341[C], 2[N],
LEU58CG744[C], 3[N],
LEU58CD21145[C], 1[O], 5[N],
SER72OG3943[N], 1[F], 2[P], 17[C], 16[O],
SER76OG1045[C], 5[N],
VAL77CG21845[N], 3[O], 10[C],
VAL77CG11448[C], 1[O], 5[N],
SER78OG1541[P], 7[O], 6[C], 1[N],
GLU80OE1643[N], 3[C],
GLU80OE2342[N], 1[C],
GLU80CD442[N], 2[C],
GLU80CG242[N],
PHE81CD2241[C], 1[N],
PHE81CE1743[N], 4[C],
PHE81CD1743[N], 4[C],
PHE81CG442[C], 2[N],
PHE81CZ744[C], 3[N],
PHE81CE2342[C], 1[N],
ASP94OD11941[P], 10[C], 7[O], 1[N],
ASP94CG1044[C], 5[O], 1[N],
ASP94OD2943[C], 5[O], 1[N],
ASN95CG3443[N], 1[P], 18[C], 10[O], 2[F],
ASN95ND22941[P], 9[O], 14[C], 2[F], 3[N],
ASN95OD13242[F], 9[O], 17[C], 1[P], 3[N],
SER96OG3942[N], 2[F], 15[O], 18[C], 2[P],
SER97OG4042[F], 2[P], 15[O], 21[C],
ARG100CD2341[N], 9[C], 11[O], 1[P], 1[F],
ARG100CG1344[C], 8[O], 1[P],
ARG100CZ4743[N], 15[O], 25[C], 2[P], 2[F],
ARG100NE3842[N], 13[O], 19[C], 2[P], 2[F],
ASN125ND2541[N], 3[C], 1[O],
ASN125CG744[C], 2[O], 1[N],
ASN125OD1741[P], 3[O], 2[C], 1[N],
PRO126CD341[N], 1[O], 1[C],
PRO126CG241[N], 1[O],
ASN127OD13541[N], 1[P], 18[C], 13[O], 2[F],
ASN127CG4542[F], 15[O], 25[C], 1[P], 2[N],
ASN127ND25543[N], 2[F], 31[C], 17[O], 2[P],
CYS128SG4442[F], 13[O], 25[C], 1[P], 3[N],
SER129OG19410[C], 8[O], 1[P],
THR130OG1544[O], 1[P],
ILE131CG1441[C], 2[O], 1[N],
ILE131CD1941[P], 3[O], 4[C], 1[N],
ILE131CG2141[N],
THR153OG1343[O],
GLN155CD1448[C], 5[O], 1[N],
GLN155OE11841[F], 7[O], 8[C], 1[P], 1[N],
GLN155NE21641[N], 6[O], 9[C],
GLN155CG1146[C], 4[O], 1[N],
SER158OG845[C], 3[O],
SER160OG2141[N], 6[O], 13[C], 1[F],
GLN162CD1543[P], 4[C], 8[O],
GLN162OE11743[P], 4[C], 10[O],
GLN162CG1442[P], 9[O], 3[C],
GLN162NE21442[P], 4[C], 8[O],
LYS163CD641[P], 1[C], 4[O],
LYS163CE641[C], 4[O], 1[P],
LYS163CG641[P], 1[C], 4[O],
LYS163NZ442[O], 1[C], 1[P],
ILE165CG1242[O],
ILE165CD1242[O],
TYR180CE1341[N], 2[O],
TYR180CZ242[O],
TYR180CD1141[O],
ILE192CG22842[F], 1[P], 14[C], 10[O], 1[N],
ILE192CD11246[C], 5[O], 1[N],
ILE192CG11341[N], 7[C], 5[O],
ASP193OD12541[N], 1[F], 14[C], 8[O], 1[P],
ASP193CG3541[N], 2[P], 18[C], 12[O], 2[F],
ASP193OD24241[N], 2[F], 22[C], 15[O], 2[P],
LYS202CG1641[F], 1[P], 8[O], 6[C],
LYS202CE2542[P], 10[C], 12[O], 1[F],
LYS202NZ25411[O], 12[C], 1[P], 1[F],
LYS202CD20410[O], 8[C], 1[P], 1[F],
GLU203OE23842[F], 1[P], 14[O], 20[C], 1[N],
GLU203CG2742[F], 13[C], 10[O], 1[P], 1[N],
GLU203CD3741[P], 14[O], 19[C], 2[F], 1[N],
GLU203OE14541[N], 24[C], 16[O], 2[P], 2[F],
LYS206NZ5141[N], 18[O], 28[C], 2[P], 2[F],
LYS206CE3942[F], 2[P], 14[O], 20[C], 1[N],
LYS206CD3542[F], 18[C], 13[O], 2[P],
LYS206CG2541[P], 11[C], 12[O], 1[F],
MET207CG141[O],
GLU210CD1142[C], 8[O], 1[P],
GLU210OE11241[P], 3[C], 7[O], 1[N],
GLU210OE22441[P], 12[O], 9[C], 1[F], 1[N],
GLU210CG343[O],
CYS226SG242[O],
ARG228CG642[C], 4[O],
ARG228NE1144[O], 6[C], 1[N],
ARG228CD944[C], 4[O], 1[N],
ARG228CZ1645[O], 10[C], 1[N],
HIS235CD21449[C], 5[O],
HIS235CG1044[O], 6[C],
HIS235CE12041[F], 11[C], 6[O], 1[P], 1[N],
HIS235ND11245[O], 6[C], 1[N],
HIS235NE21946[O], 12[C], 1[N],
ASN308ND22041[N], 7[O], 12[C],
ASN308CG1348[C], 5[O],
ASN308OD1742[O], 5[C],
ILE309CG2744[C], 2[O], 1[P],
ASN316CG141[N],
ASN316ND2141[N],
Total = 134



Download csv file of statistical distribution of contacts