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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: GDP_A_2(4B47) / Model_9(4B47/A) = [7.4] Download751.091.13MSKKRLYEIAKELGKESKEVVARAKELGLDVKSHSSSVEEAVAAKIAASFKPAAAPKVEAKPAAPKVSAEKKTEKSEPAKPAVAKEEAKPAEPVAPKTEKVAAKPQSRNFKAEREARAKEQAERRKQNKGNNRDQQQNGNRQKNDGRNGGKQGQSNRDNRRFNDQAKKQQGQQKRRNERRQQEDKRSNQAAPRIDFKARAAALKAEQNAEYARSSEERFKQYQAAKEALAQANKRKEPEEIFEEAAKLAEQAQQVQAVVEVVPEKKEPAVDTRRKKQARPDKNRDDYDHEEDGPRKQQKNRSSQNQVRNQKNSNWNNNKKNKKGNNKNNRNQTPKPVTERKFHELPTEFEYTDGMTVAEIAKRIKREPAEIVKKLFMMGVMATQNQSLDGETIELLMVDYGIEAKQKVEVDNADIERFFVEDGYLNEDELVERPPVVTIMGHVDHGKTTLLDTLRNSRVATGEAGGITQHIGAYQIVENGKKITFLDTPGHAAFTSMRARGASVTDITILVVAADDGVMPQTIEAINHSKAANVPIIVAINKIDKPGANPERVIGELAEHGVMSTAWGGDSEFVEISAKFNQNIEELLETVLLVAEIQELKADPTVRAIGTVIEARLDKGKGAVATLLVQQGTLNVQDPIVVGNTFGRVRAMTNDLGRRVKVAGPSTPVSITGLNEAPMAGDHFAVYEDEKSARAAGEERAKRALMKQRQATQRVSLENLFDTLKAGELKSVNVIIKADVQGSVEALSASLQKIDVEGVKVTIVHSAVGAINESDVTLAEASNAFIVGFNVRPTPQARQQAEADDVEIRLHSIIYKVIEEMEEAMKGMLDPEFEEKVIGEAVIRETFKVSKVGTIGGFMVINGKVARDSKVRVIRDGVVIYDGELASLKHYKDDVKEVTNGREGGLMIDGYNDIKMDDVIEAYVMEEIKR
Complex: GTP_A_2(4B48) / Model_10(4B48/A) = [6.5] Download976.59-2.05MSKKRLYEIAKELGKESKEVVARAKELGLDVKSHSSSVEEAVAAKIAASFKPAAAPKVEAKPAAPKVSAEKKTEKSEPAKPAVAKEEAKPAEPVAPKTEKVAAKPQSRNFKAEREARAKEQAERRKQNKGNNRDQQQNGNRQKNDGRNGGKQGQSNRDNRRFNDQAKKQQGQQKRRNERRQQEDKRSNQAAPRIDFKARAAALKAEQNAEYARSSEERFKQYQAAKEALAQANKRKEPEEIFEEAAKLAEQAQQVQAVVEVVPEKKEPAVDTRRKKQARPDKNRDDYDHEEDGPRKQQKNRSSQNQVRNQKNSNWNNNKKNKKGNNKNNRNQTPKPVTERKFHELPTEFEYTDGMTVAEIAKRIKREPAEIVKKLFMMGVMATQNQSLDGETIELLMVDYGIEAKQKVEVDNADIERFFVEDGYLNEDELVERPPVVTIMGHVDHGKTTLLDTLRNSRVATGEAGGITQHIGAYQIVENGKKITFLDTPGHAAFTSMRARGASVTDITILVVAADDGVMPQTIEAINHSKAANVPIIVAINKIDKPGANPERVIGELAEHGVMSTAWGGDSEFVEISAKFNQNIEELLETVLLVAEIQELKADPTVRAIGTVIEARLDKGKGAVATLLVQQGTLNVQDPIVVGNTFGRVRAMTNDLGRRVKVAGPSTPVSITGLNEAPMAGDHFAVYEDEKSARAAGEERAKRALMKQRQATQRVSLENLFDTLKAGELKSVNVIIKADVQGSVEALSASLQKIDVEGVKVTIVHSAVGAINESDVTLAEASNAFIVGFNVRPTPQARQQAEADDVEIRLHSIIYKVIEEMEEAMKGMLDPEFEEKVIGEAVIRETFKVSKVGTIGGFMVINGKVARDSKVRVIRDGVVIYDGELASLKHYKDDVKEVTNGREGGLMIDGYNDIKMDDVIEAYVMEEIKR
Consensus
[pKd Mean = 6.95]		-863
(s=112)		0
(s=1)		MSKKRLYEIAKELGKESKEVVARAKELGLDVKSHSSSVEEAVAAKIAASFKPAAAPKVEAKPAAPKVSAEKKTEKSEPAKPAVAKEEAKPAEPVAPKTEKVAAKPQSRNFKAEREARAKEQAERRKQNKGNNRDQQQNGNRQKNDGRNGGKQGQSNRDNRRFNDQAKKQQGQQKRRNERRQQEDKRSNQAAPRIDFKARAAALKAEQNAEYARSSEERFKQYQAAKEALAQANKRKEPEEIFEEAAKLAEQAQQVQAVVEVVPEKKEPAVDTRRKKQARPDKNRDDYDHEEDGPRKQQKNRSSQNQVRNQKNSNWNNNKKNKKGNNKNNRNQTPKPVTERKFHELPTEFEYTDGMTVAEIAKRIKREPAEIVKKLFMMGVMATQNQSLDGETIELLMVDYGIEAKQKVEVDNADIERFFVEDGYLNEDELVERPPVVTIMGHVDHGKTTLLDTLRNSRVATGEAGGITQHIGAYQIVENGKKITFLDTPGHAAFTSMRARGASVTDITILVVAADDGVMPQTIEAINHSKAANVPIIVAINKIDKPGANPERVIGELAEHGVMSTAWGGDSEFVEISAKFNQNIEELLETVLLVAEIQELKADPTVRAIGTVIEARLDKGKGAVATLLVQQGTLNVQDPIVVGNTFGRVRAMTNDLGRRVKVAGPSTPVSITGLNEAPMAGDHFAVYEDEKSARAAGEERAKRALMKQRQATQRVSLENLFDTLKAGELKSVNVIIKADVQGSVEALSASLQKIDVEGVKVTIVHSAVGAINESDVTLAEASNAFIVGFNVRPTPQARQQAEADDVEIRLHSIIYKVIEEMEEAMKGMLDPEFEEKVIGEAVIRETFKVSKVGTIGGFMVINGKVARDSKVRVIRDGVVIYDGELASLKHYKDDVKEVTNGREGGLMIDGYNDIKMDDVIEAYVMEEIKR



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]
ILE439CG2321[P], 2[O],
HIS442CG524[O], 1[P],
HIS442NE2222[O],
HIS442CE1421[P], 3[O],
HIS442ND1922[P], 7[O],
HIS442CD2222[O],
VAL443CG219214[O], 1[C], 4[P],
VAL443CG118213[O], 4[P], 1[C],
ASP444CG37210[C], 5[P], 21[O], 1[N],
ASP444OD139222[O], 5[P], 11[C], 1[N],
ASP444OD227215[O], 7[C], 5[P],
HIS445ND1222[O],
HIS445CG1223[P], 9[O],
HIS445NE2121[O],
HIS445CD21222[P], 10[O],
HIS445CE1121[O],
LYS447CG22217[O], 5[P],
LYS447CE18214[O], 4[P],
LYS447NZ20215[O], 5[P],
LYS447CD1925[P], 14[O],
THR448OG124217[O], 2[C], 5[P],
THR448CG22322[C], 5[P], 16[O],
THR449OG15428[N], 20[C], 4[P], 22[O],
THR449CG24829[N], 2[P], 20[C], 17[O],
LEU450CG222[N],
LEU450CD1422[O], 2[N],
LEU451CG121[O],
LEU451CD1121[O],
ASP452OD1323[O],
ASP452CG423[O], 1[P],
ASP452OD2721[P], 6[O],
THR453OG1722[O], 3[C], 2[N],
HIS491ND1121[O],
HIS491NE2524[O], 1[P],
HIS491CD2521[P], 4[O],
HIS491CG322[O], 1[P],
HIS491CE1421[P], 3[O],
VAL511CG11522[N], 8[O], 4[C], 1[P],
VAL511CG2221[O], 1[P],
ASP515CG722[C], 5[N],
ASP515OD2924[N], 1[O], 4[C],
ASP515OD11522[O], 6[C], 7[N],
ASN541OD126210[N], 12[C], 4[O],
ASN541ND24323[P], 18[C], 12[O], 10[N],
ASN541CG29212[C], 7[O], 10[N],
LYS542CD43220[C], 1[P], 12[O], 10[N],
LYS542NZ52210[N], 4[P], 20[C], 18[O],
LYS542CE5224[P], 20[C], 18[O], 10[N],
LYS542CG39210[N], 20[C], 9[O],
ILE543CG1622[O], 2[C], 2[N],
ILE543CG2322[O], 1[N],
ILE543CD1222[O],
ASP544OD223210[N], 11[C], 2[O],
ASP544OD123210[N], 11[C], 2[O],
ASP544CG2129[C], 2[O], 10[N],
LYS545CD1427[N], 6[C], 1[O],
LYS545CE1726[N], 8[C], 3[O],
LYS545CG1321[O], 5[C], 7[N],
LYS545NZ1825[N], 9[C], 4[O],
PRO546CD222[N],
ILE576CD1824[C], 2[O], 2[N],
ILE576CG1521[N], 2[C], 2[O],
SER577OG22210[C], 2[O], 10[N],
LYS579NZ35210[N], 8[O], 17[C],
LYS579CG28214[C], 4[O], 10[N],
LYS579CE31210[N], 6[O], 15[C],
LYS579CD31210[N], 15[C], 6[O],
PHE580CD2422[N], 1[O], 1[C],
PHE580CZ521[O], 2[C], 2[N],
PHE580CE1522[N], 2[C], 1[O],
PHE580CE2421[O], 1[C], 2[N],
PHE580CD1522[N], 2[C], 1[O],
PHE580CG522[C], 1[O], 2[N],
ILE584CD1222[O],
ILE584CG1222[O],
Total = 75



Download csv file of statistical distribution of contacts