Study : gbs1334 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: ADP_D_6(2JGV) / Model_21(2JGV/D) = [5.3] Download1376.0216.25MILTVTMNPSIDISYPLDVFKMDTVNRVAEVSKTAGGKGLNVTRVLAEIGDNVAATGLIGGTNGHFLLQHLPQNIQAFFYEIAGDTRNCIAILHEGQQTEILEAGPTIAAEEVNGFLHHYRSLMGATDVVAISGSLPAGLPTEFYVQLVEIAHQFGNKVVLDCSGVALQAALGSPVKPTAIKPNNEELSQLLGREVSKDLNELKEVLSEPLFEGIEWIIVSLGADGAFAKHWDTFYKVDIPKIEVVNPVGSGDSTVAGISSALSHQVDDYSLLKKANVLGMLNAQEKMTGHVNVSKYDNLYNQITVKEV
Complex: ADP_B_5(2JGV) / Model_22(2JGV/B) = [5.5] Download1466.2315.11MILTVTMNPSIDISYPLDVFKMDTVNRVAEVSKTAGGKGLNVTRVLAEIGDNVAATGLIGGTNGHFLLQHLPQNIQAFFYEIAGDTRNCIAILHEGQQTEILEAGPTIAAEEVNGFLHHYRSLMGATDVVAISGSLPAGLPTEFYVQLVEIAHQFGNKVVLDCSGVALQAALGSPVKPTAIKPNNEELSQLLGREVSKDLNELKEVLSEPLFEGIEWIIVSLGADGAFAKHWDTFYKVDIPKIEVVNPVGSGDSTVAGISSALSHQVDDYSLLKKANVLGMLNAQEKMTGHVNVSKYDNLYNQITVKEV
Complex: ATP_A_4(2F02) / Model_50(2F02/A) = [6.6] Download1048.9217.18MILTVTMNPSIDISYPLDVFKMDTVNRVAEVSKTAGGKGLNVTRVLAEIGDNVAATGLIGGTNGHFLLQHLPQNIQAFFYEIAGDTRNCIAILHEGQQTEILEAGPTIAAEEVNGFLHHYRSLMGATDVVAISGSLPAGLPTEFYVQLVEIAHQFGNKVVLDCSGVALQAALGSPVKPTAIKPNNEELSQLLGREVSKDLNELKEVLSEPLFEGIEWIIVSLGADGAFAKHWDTFYKVDIPKIEVVNPVGSGDSTVAGISSALSHQVDDYSLLKKANVLGMLNAQEKMTGHVNVSKYDNLYNQITVKEV
Complex: ANP_A_6(2JG1) / Model_47(2JG1/A) = [8.4] Download905.6215.70MILTVTMNPSIDISYPLDVFKMDTVNRVAEVSKTAGGKGLNVTRVLAEIGDNVAATGLIGGTNGHFLLQHLPQNIQAFFYEIAGDTRNCIAILHEGQQTEILEAGPTIAAEEVNGFLHHYRSLMGATDVVAISGSLPAGLPTEFYVQLVEIAHQFGNKVVLDCSGVALQAALGSPVKPTAIKPNNEELSQLLGREVSKDLNELKEVLSEPLFEGIEWIIVSLGADGAFAKHWDTFYKVDIPKIEVVNPVGSGDSTVAGISSALSHQVDDYSLLKKANVLGMLNAQEKMTGHVNVSKYDNLYNQITVKEV
Consensus
[pKd Mean = 6.45]
-1199
(s=229)
16
(s=0)
MILTVTMNPSIDISYPLDVFKMDTVNRVAEVSKTAGGKGLNVTRVLAEIGDNVAATGLIGGTNGHFLLQHLPQNIQAFFYEIAGDTRNCIAILHEGQQTEILEAGPTIAAEEVNGFLHHYRSLMGATDVVAISGSLPAGLPTEFYVQLVEIAHQFGNKVVLDCSGVALQAALGSPVKPTAIKPNNEELSQLLGREVSKDLNELKEVLSEPLFEGIEWIIVSLGADGAFAKHWDTFYKVDIPKIEVVNPVGSGDSTVAGISSALSHQVDDYSLLKKANVLGMLNAQEKMTGHVNVSKYDNLYNQITVKEV