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 :C8_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 C8_S1
Complex: 52H_B_4(3COW) / Model_75(3COW/B) = [9.4] Download976.7345.46MKTETTIQGLAASLNPARAARKIIGFVPTMGNLHEGHLTLVREAKKLCDVVVVSIFVNPTQFGPGEDFDNYPRTLEQDSRLLADVGCDIIFAPSVEQMYGTQPRLTNISVSQITDDLCGSSRPGHFDGVALVVTKLFNIVQPNYAFFGQKDYQQLAVIRQFVQDLNIPLEVIGVPIVRAEDGLALSSRNGYLTPEQRQVAPVIYQGLKQAEEQLHQGKDLQQVLADLKTLLTDNGFVVDYVEARQPNLLAASQFDRDIVLFVAAKLGGTRLIDNLQVAFTPQ
Complex: ANP_A_3(5UCR) / Model_3(5UCR/A) = [9.4] Download924.4628.87MKTETTIQGLAASLNPARAARKIIGFVPTMGNLHEGHLTLVREAKKLCDVVVVSIFVNPTQFGPGEDFDNYPRTLEQDSRLLADVGCDIIFAPSVEQMYGTQPRLTNISVSQITDDLCGSSRPGHFDGVALVVTKLFNIVQPNYAFFGQKDYQQLAVIRQFVQDLNIPLEVIGVPIVRAEDGLALSSRNGYLTPEQRQVAPVIYQGLKQAEEQLHQGKDLQQVLADLKTLLTDNGFVVDYVEARQPNLLAASQFDRDIVLFVAAKLGGTRLIDNLQVAFTPQ
Complex: PAJ_B_9(3AG6) / Model_111(3AG6/B) = [9.2] Download912.2842.56MKTETTIQGLAASLNPARAARKIIGFVPTMGNLHEGHLTLVREAKKLCDVVVVSIFVNPTQFGPGEDFDNYPRTLEQDSRLLADVGCDIIFAPSVEQMYGTQPRLTNISVSQITDDLCGSSRPGHFDGVALVVTKLFNIVQPNYAFFGQKDYQQLAVIRQFVQDLNIPLEVIGVPIVRAEDGLALSSRNGYLTPEQRQVAPVIYQGLKQAEEQLHQGKDLQQVLADLKTLLTDNGFVVDYVEARQPNLLAASQFDRDIVLFVAAKLGGTRLIDNLQVAFTPQ
Complex: 53H_B_4(3COY) / Model_74(3COY/B) = [8.9] Download944.2343.88MKTETTIQGLAASLNPARAARKIIGFVPTMGNLHEGHLTLVREAKKLCDVVVVSIFVNPTQFGPGEDFDNYPRTLEQDSRLLADVGCDIIFAPSVEQMYGTQPRLTNISVSQITDDLCGSSRPGHFDGVALVVTKLFNIVQPNYAFFGQKDYQQLAVIRQFVQDLNIPLEVIGVPIVRAEDGLALSSRNGYLTPEQRQVAPVIYQGLKQAEEQLHQGKDLQQVLADLKTLLTDNGFVVDYVEARQPNLLAASQFDRDIVLFVAAKLGGTRLIDNLQVAFTPQ
Complex: 54H_A_5(3COZ) / Model_19(3COZ/A) = [8.7] Download891.4544.19MKTETTIQGLAASLNPARAARKIIGFVPTMGNLHEGHLTLVREAKKLCDVVVVSIFVNPTQFGPGEDFDNYPRTLEQDSRLLADVGCDIIFAPSVEQMYGTQPRLTNISVSQITDDLCGSSRPGHFDGVALVVTKLFNIVQPNYAFFGQKDYQQLAVIRQFVQDLNIPLEVIGVPIVRAEDGLALSSRNGYLTPEQRQVAPVIYQGLKQAEEQLHQGKDLQQVLADLKTLLTDNGFVVDYVEARQPNLLAASQFDRDIVLFVAAKLGGTRLIDNLQVAFTPQ
Consensus
[pKd Mean = 9.12]		-929
(s=29)		40
(s=6)		MKTETTIQGLAASLNPARAARKIIGFVPTMGNLHEGHLTLVREAKKLCDVVVVSIFVNPTQFGPGEDFDNYPRTLEQDSRLLADVGCDIIFAPSVEQMYGTQPRLTNISVSQITDDLCGSSRPGHFDGVALVVTKLFNIVQPNYAFFGQKDYQQLAVIRQFVQDLNIPLEVIGVPIVRAEDGLALSSRNGYLTPEQRQVAPVIYQGLKQAEEQLHQGKDLQQVLADLKTLLTDNGFVVDYVEARQPNLLAASQFDRDIVLFVAAKLGGTRLIDNLQVAFTPQ



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]
VAL27CG1141910[C], 4[O],
PRO28CA74196[O], 1[N], 66[C], 1[S],
PRO28CG68191[P], 9[O], 57[C], 1[N],
PRO28C1801948[O], 112[C], 5[N], 4[P], 11[S],
PRO28CB82191[P], 1[S], 9[O], 70[C], 1[N],
PRO28N24192[O], 22[C],
PRO28O22119130[C], 9[N], 64[O], 11[S], 7[P],
PRO28CD24192[O], 22[C],
THR29C1571911[S], 7[P], 8[N], 84[C], 47[O],
THR29CA185197[P], 11[S], 58[O], 9[N], 100[C],
THR29CB1201944[O], 7[N], 53[C], 6[P], 10[S],
THR29OG137193[S], 2[P], 16[C], 16[O],
THR29O1141927[O], 69[C], 3[N], 6[P], 9[S],
THR29N152194[N], 96[C], 36[O], 10[S], 6[P],
THR29CG290199[S], 5[P], 36[C], 4[N], 36[O],
MET30N1571911[S], 7[P], 79[C], 8[N], 52[O],
MET30O18192[S], 16[O],
MET30CG182199[N], 94[C], 61[O], 11[S], 7[P],
MET30CE1481962[C], 7[N], 60[O], 10[S], 9[P],
MET30SD151196[N], 82[C], 45[O], 11[S], 7[P],
MET30C49199[C], 3[N], 23[O], 9[S], 5[P],
MET30CB1421952[O], 8[N], 64[C], 7[P], 11[S],
MET30CA113195[N], 51[C], 40[O], 11[S], 6[P],
GLY31C141914[O],
GLY31O41197[S], 5[P], 3[C], 3[N], 23[O],
GLY31N35194[C], 1[N], 19[O], 6[S], 5[P],
GLY31CA141914[O],
ASN32ND22192[O],
ASN32CB1191[O],
ASN32O8198[O],
ASN32CG1191[O],
LEU33CD2131913[O],
HIS34ND11291915[O], 76[C], 38[N],
HIS34NE2182194[P], 39[O], 43[N], 96[C],
HIS34CE119219105[C], 54[N], 28[O], 2[S], 3[P],
HIS34CD21091923[N], 66[C], 17[O], 3[P],
HIS34CG611920[N], 31[C], 9[O], 1[P],
GLU35O14195[O], 5[C], 4[N],
GLU35C21195[O], 4[N], 12[C],
GLY36C1691952[N], 102[C], 15[O],
GLY36CA1511993[C], 53[N], 5[O],
GLY36O1561915[O], 46[N], 95[C],
GLY36N1121936[N], 71[C], 5[O],
HIS37CA1121974[C], 26[N], 12[O],
HIS37C5194[O], 1[C],
HIS37CD2240197[P], 10[S], 65[O], 35[N], 123[C],
HIS37N1671915[O], 49[N], 103[C],
HIS37CE11961985[C], 31[N], 62[O], 10[S], 8[P],
HIS37NE22591971[O], 135[C], 34[N], 9[P], 10[S],
HIS37CG163198[S], 3[P], 27[N], 85[C], 40[O],
HIS37CB541935[C], 8[N], 11[O],
HIS37O4194[O],
HIS37ND11401945[O], 26[N], 60[C], 4[P], 5[S],
THR39CA5195[C],
THR39C5195[C],
THR39O2192[C],
THR39OG1221911[C], 6[N], 5[O],
THR39CG2181911[C], 2[N], 5[O],
THR39N4194[C],
THR39CB301911[N], 14[C], 5[O],
LEU40CD116619106[C], 28[N], 32[O],
LEU40N10193[O], 6[C], 1[N],
LEU40CA4194[C],
LEU40CG1201918[N], 78[C], 24[O],
LEU40CD21241928[O], 21[N], 75[C],
LEU40CB32197[O], 5[N], 20[C],
SER54OG111911[C],
SER54O2192[C],
PHE56O31196[O], 25[C],
PHE56CD23191[C], 2[O],
PHE56C3191[C], 2[O],
ASN58CA3193[O],
ASN58N3193[O],
ASN58CG5194[O], 1[C],
ASN58CB10194[O], 6[C],
ASN58ND27194[O], 3[C],
ASN58OD11191[O],
ASN58O1191[O],
GLN61CD601911[O], 2[N], 46[C], 1[P],
GLN61OE175194[N], 56[C], 14[O], 1[P],
GLN61CG18191[P], 8[C], 2[N], 7[O],
GLN61NE286192[P], 1[S], 19[O], 4[N], 60[C],
GLN61CB8196[O], 2[N],
PHE62CE26192[O], 1[N], 3[C],
PHE62CZ3191[N], 1[C], 1[O],
PHE62CD25191[N], 2[C], 2[O],
PHE62CB1191[O],
PHE62CG1191[O],
TYR71CZ341923[O], 1[N], 1[C], 5[P], 4[S],
TYR71CE17191[P], 1[C], 5[O],
TYR71CE214192[P], 11[O], 1[C],
HIS125CE16194[O], 2[N],
HIS125NE26192[N], 4[O],
GLY128O2192[O],
VAL129CA34191[P], 9[O], 3[N], 21[C],
VAL129O31191[P], 1[N], 22[C], 7[O],
VAL129C18191[N], 14[C], 3[O],
VAL129CG1681912[O], 3[N], 52[C], 1[P],
VAL129CG246193[N], 31[C], 11[O], 1[P],
VAL129CB43193[N], 28[C], 11[O], 1[P],
VAL129N3193[C],
ALA130N1191[C],
VAL132O2192[C],
VAL132CG157191[P], 11[O], 1[N], 44[C],
VAL132CB161911[C], 1[N], 4[O],
VAL132C10198[C], 2[O],
VAL132CG212198[C], 4[O],
VAL132CA4192[C], 2[O],
VAL133CG271191[P], 11[O], 58[C], 1[N],
VAL133N20193[O], 1[N], 16[C],
VAL133CG17196[C], 1[O],
VAL133CB27194[O], 22[C], 1[N],
VAL133CA17191[N], 15[C], 1[O],
LEU136CG2192[C],
LEU136CD132194[O], 27[C], 1[N],
PHE146O291910[O], 19[C],
PHE146C101910[O],
PHE147N161910[O], 6[C],
PHE147CB431920[O], 23[C],
PHE147C971913[N], 56[C], 28[O],
PHE147CD11021972[C], 2[N], 26[O], 2[S],
PHE147CA681927[O], 41[C],
PHE147CZ431933[C], 10[O],
PHE147CE2151910[C], 5[O],
PHE147CD222199[C], 13[O],
PHE147O441920[O], 14[C], 10[N],
PHE147CE193191[P], 1[S], 15[O], 74[C], 2[N],
PHE147CG361912[O], 24[C],
GLY148O1021920[N], 62[C], 20[O],
GLY148N1581935[O], 101[C], 22[N],
GLY148C1421926[O], 29[N], 87[C],
GLY148CA2041935[O], 134[C], 35[N],
GLN149CA231910[O], 7[C], 6[N],
GLN149N891952[C], 20[N], 17[O],
GLN149C241910[O], 7[C], 7[N],
GLN149O1191[O],
LYS150CG1471914[O], 80[C], 53[N],
LYS150CA1241946[N], 68[C], 10[O],
LYS150C221910[O], 12[C],
LYS150CB1851917[O], 55[N], 113[C],
LYS150N1241982[C], 31[N], 11[O],
LYS150O8198[O],
LYS150CE100193[P], 54[C], 28[N], 15[O],
LYS150CD1521921[O], 51[N], 78[C], 2[P],
LYS150NZ88195[P], 36[C], 20[N], 27[O],
ASP151OD186196[N], 35[C], 41[O], 2[S], 2[P],
ASP151C101910[O],
ASP151OD22371968[O], 126[C], 32[N], 6[P], 5[S],
ASP151N501928[C], 12[N], 10[O],
ASP151O101910[O],
ASP151CG1401952[O], 66[C], 18[N], 2[P], 2[S],
ASP151CA201910[C], 10[O],
ASP151CB581931[O], 27[C],
GLN154CD1391940[O], 7[N], 88[C], 2[P], 2[S],
GLN154NE2198197[N], 126[C], 57[O], 6[S], 2[P],
GLN154OE1145193[P], 3[S], 37[O], 96[C], 6[N],
GLN154CG60191[P], 1[S], 21[O], 35[C], 2[N],
GLN154CB8192[N], 6[O],
ILE158CD120192[O], 17[C], 1[N],
ILE158CG12191[C], 1[O],
VAL174CB301910[N], 15[C], 5[O],
VAL174CG25195[C],
VAL174CA9199[C],
VAL174O57195[O], 20[N], 32[C],
VAL174CG1301910[N], 15[C], 5[O],
VAL174N4194[C],
VAL174C311911[N], 15[C], 5[O],
PRO175CA21193[O], 3[N], 15[C],
PRO175C531920[N], 28[C], 5[O],
PRO175O711944[C], 22[N], 5[O],
PRO175N16191[O], 15[C],
ILE176O54195[O], 30[C], 19[N],
ILE176C82195[O], 47[C], 30[N],
ILE176CG184195[O], 49[C], 30[N],
ILE176CG2821952[C], 25[N], 5[O],
ILE176CD112195[N], 7[C],
ILE176N63195[O], 23[N], 35[C],
ILE176CA1001965[C], 30[N], 5[O],
ILE176CB821947[C], 30[N], 5[O],
VAL177CA731945[C], 23[N], 5[O],
VAL177CB88195[O], 53[C], 30[N],
VAL177CG1451920[N], 20[C], 5[O],
VAL177N100195[O], 65[C], 30[N],
VAL177C611920[N], 36[C], 5[O],
VAL177CG281195[O], 46[C], 30[N],
VAL177O761948[C], 23[N], 5[O],
ARG178CA9199[N],
ARG178CG2192[N],
ARG178N22193[C], 19[N],
ALA184C321911[N], 21[C],
ALA184CA131910[N], 3[C],
ALA184O101910[N],
ALA184N2192[N],
ALA184CB191910[N], 9[C],
LEU185O148192[P], 46[N], 85[C], 15[O],
LEU185N571930[C], 27[N],
LEU185CD220192[O], 10[N], 8[C],
LEU185CB951953[C], 33[N], 9[O],
LEU185CD1421925[C], 13[N], 4[O],
LEU185CG49195[O], 31[C], 13[N],
LEU185C107191[P], 59[C], 33[N], 14[O],
LEU185CA691924[N], 43[C], 2[O],
SER186OG42193[P], 11[C], 6[N], 22[O],
SER186CA80193[P], 17[O], 26[N], 34[C],
SER186O21195[C], 15[O], 1[P],
SER186CB54193[P], 18[N], 15[C], 18[O],
SER186C32193[P], 17[O], 10[C], 2[N],
SER186N83191[P], 15[O], 25[N], 42[C],
SER187CA27193[P], 1[N], 5[C], 18[O],
SER187C21192[P], 14[O], 1[N], 4[C],
SER187O4191[P], 3[O],
SER187N431924[O], 10[C], 6[N], 3[P],
SER187OG51191[S], 7[P], 7[C], 1[N], 35[O],
SER187CB36195[C], 1[N], 27[O], 3[P],
ARG188CB7196[O], 1[P],
ARG188CD9192[P], 7[O],
ARG188CZ11197[O], 1[N], 3[P],
ARG188CG12192[P], 10[O],
ARG188C1191[O],
ARG188N23193[P], 1[N], 5[C], 14[O],
ARG188CA7191[P], 6[O],
ARG188NE11191[N], 7[O], 3[P],
ASN189N1191[O],
ARG270O1191[O],
Total = 224



Download csv file of statistical distribution of contacts