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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: GGL_B_5(5EYF) / Model_21(5EYF/B) = [4.7] Download133.380.08MRRLKKIRLIFLLGIAFLALAGCKGNGLANEDILERSKSTNEIIWGVKYDTRLFGMMDIESRTVQGFDVDIAKAITKKILGDNGKTEFVEVTSKTRIPLLKNGNIDAIIATMTITDERKKQVDFSDVYFDAGQALLVKKGSQIKSVDDLNASTTVLAVKGSTSAANIRQHAPDAKILELENYAEAFTALQSGQGDAMTTDNAILLGIADENPEYELVGGTFTNEPYGIAINKGQENFLKAVNQALEEMHADGTYDKIYQKWFPNETEGKVE
Complex: ARG_A_2(4ZV1) / Model_2(4ZV1/A) = [4.1] Download2810.8922.70MRRLKKIRLIFLLGIAFLALAGCKGNGLANEDILERSKSTNEIIWGVKYDTRLFGMMDIESRTVQGFDVDIAKAITKKILGDNGKTEFVEVTSKTRIPLLKNGNIDAIIATMTITDERKKQVDFSDVYFDAGQALLVKKGSQIKSVDDLNASTTVLAVKGSTSAANIRQHAPDAKILELENYAEAFTALQSGQGDAMTTDNAILLGIADENPEYELVGGTFTNEPYGIAINKGQENFLKAVNQALEEMHADGTYDKIYQKWFPNETEGKVE
Complex: GLN_A_2(4ZV2) / Model_3(4ZV2/A) = [3.8] Download5538.709.34MRRLKKIRLIFLLGIAFLALAGCKGNGLANEDILERSKSTNEIIWGVKYDTRLFGMMDIESRTVQGFDVDIAKAITKKILGDNGKTEFVEVTSKTRIPLLKNGNIDAIIATMTITDERKKQVDFSDVYFDAGQALLVKKGSQIKSVDDLNASTTVLAVKGSTSAANIRQHAPDAKILELENYAEAFTALQSGQGDAMTTDNAILLGIADENPEYELVGGTFTNEPYGIAINKGQENFLKAVNQALEEMHADGTYDKIYQKWFPNETEGKVE
Consensus
[pKd Mean = 4.20]		-2827
(s=2206)		10
(s=9)		MRRLKKIRLIFLLGIAFLALAGCKGNGLANEDILERSKSTNEIIWGVKYDTRLFGMMDIESRTVQGFDVDIAKAITKKILGDNGKTEFVEVTSKTRIPLLKNGNIDAIIATMTITDERKKQVDFSDVYFDAGQALLVKKGSQIKSVDDLNASTTVLAVKGSTSAANIRQHAPDAKILELENYAEAFTALQSGQGDAMTTDNAILLGIADENPEYELVGGTFTNEPYGIAINKGQENFLKAVNQALEEMHADGTYDKIYQKWFPNETEGKVE



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]
LYS48CE1035[C], 1[N], 4[O],
LYS48NZ1034[O], 1[N], 5[C],
LYS48CD432[O], 2[C],
LYS48CG432[C], 2[O],
ASP50OD1131[O],
THR51OG1432[O], 2[C],
THR51CG2331[O], 2[C],
PHE54CE2433[N], 1[C],
PHE54CD2935[C], 4[N],
PHE54CG533[C], 2[N],
ASP68CG231[C], 1[N],
ASP68OD2632[N], 1[O], 3[C],
VAL91CG2131[O],
SER93OG2934[N], 9[O], 16[C],
ARG96CZ3039[O], 5[N], 16[C],
ARG96NE27315[C], 3[N], 9[O],
ARG96CG833[C], 2[N], 3[O],
ARG96CD1636[O], 2[N], 8[C],
ILE108CG2131[O],
THR111CG227316[C], 6[O], 5[N],
THR111OG13035[N], 9[O], 16[C],
MET112CG28315[C], 5[N], 8[O],
MET112CE20311[C], 6[O], 3[N],
MET112SD1437[O], 1[N], 6[C],
THR113OG12935[N], 9[O], 15[C],
THR113CG22133[N], 6[O], 12[C],
THR115CG21436[O], 2[N], 6[C],
THR115OG1535[O],
ARG118CZ27315[C], 9[O], 3[N],
ARG118NE2333[N], 8[O], 12[C],
ARG118CG936[O], 3[C],
ARG118CD1436[C], 6[O], 2[N],
PHE124CZ333[O],
PHE124CE1333[O],
GLN133CG634[C], 2[N],
GLN133NE21137[C], 2[O], 2[N],
GLN133CD1238[C], 2[N], 2[O],
GLN133OE119311[C], 3[N], 5[O],
VAL158CG2734[C], 3[O],
SER161OG2939[O], 5[N], 15[C],
THR162OG12733[N], 9[O], 15[C],
THR162CG22438[O], 3[N], 13[C],
SER163OG27315[C], 3[N], 9[O],
ASN166CG231[O], 1[C],
ASN166ND2531[N], 1[O], 3[C],
TYR182CZ932[O], 1[N], 6[C],
TYR182CG831[N], 2[O], 5[C],
TYR182CE21136[C], 2[N], 3[O],
TYR182CD1633[O], 3[C],
TYR182CD21132[N], 3[O], 6[C],
TYR182CE1634[C], 2[O],
THR199OG12736[O], 5[N], 16[C],
THR199CG2635[C], 1[O],
ASP200OD23039[O], 5[N], 16[C],
ASP200OD13039[O], 5[N], 16[C],
ASP200CG3039[O], 5[N], 16[C],
ILE203CG12035[N], 3[O], 12[C],
ILE203CD125315[C], 5[N], 5[O],
ILE203CG21032[N], 2[O], 6[C],
THR222OG1231[N], 1[C],
GLU224CG1936[O], 3[N], 10[C],
GLU224OE21936[O], 3[N], 10[C],
GLU224OE123313[C], 7[O], 3[N],
GLU224CD2036[O], 3[N], 11[C],
PRO225CD131[N],
TYR226CZ2935[N], 8[O], 16[C],
TYR226CD126315[C], 7[O], 4[N],
TYR226CE224315[C], 4[O], 5[N],
TYR226CD21634[N], 4[O], 8[C],
TYR226CG20313[C], 4[O], 3[N],
TYR226CE129315[C], 9[O], 5[N],
Total = 71



Download csv file of statistical distribution of contacts