Study : Wbm0449 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: 26P_G_7(3TDT) / Model_5(3TDT/A) = [3.1] Download638.2639.89MQLEKIQSDVEDIWKNRSKLSNRSVKRAARVIIKKVIKLLDSGKIRVAERLSDGKWIVHTWIKQAISLYFLTEESKMIDHTGWWFDKVNNKFDGWNEEEFHQSKIRAVPGCFVRQSAYVGTNVVLMPSFINVGAYISSGTMIDTWSTIGSCAQIGKNCHVSGGVGIGGVLEPIQASPVIIEDNCFIGARSEVAEGVIIREGSVLGMGVFIGASTKIIDRETNKVFYGEVPPYSVVVPGSTLSANNISIYCAIIVKKVDEKTRQKTSINEILRD
Complex: SCO_G_7(1KGQ) / Model_2(1KGQ/A) = [5.9] Download1973.2131.40MQLEKIQSDVEDIWKNRSKLSNRSVKRAARVIIKKVIKLLDSGKIRVAERLSDGKWIVHTWIKQAISLYFLTEESKMIDHTGWWFDKVNNKFDGWNEEEFHQSKIRAVPGCFVRQSAYVGTNVVLMPSFINVGAYISSGTMIDTWSTIGSCAQIGKNCHVSGGVGIGGVLEPIQASPVIIEDNCFIGARSEVAEGVIIREGSVLGMGVFIGASTKIIDRETNKVFYGEVPPYSVVVPGSTLSANNISIYCAIIVKKVDEKTRQKTSINEILRD
Complex: SCA_G_7(1KGT) / Model_3(1KGT/A) = [6.4] Download1786.6331.40MQLEKIQSDVEDIWKNRSKLSNRSVKRAARVIIKKVIKLLDSGKIRVAERLSDGKWIVHTWIKQAISLYFLTEESKMIDHTGWWFDKVNNKFDGWNEEEFHQSKIRAVPGCFVRQSAYVGTNVVLMPSFINVGAYISSGTMIDTWSTIGSCAQIGKNCHVSGGVGIGGVLEPIQASPVIIEDNCFIGARSEVAEGVIIREGSVLGMGVFIGASTKIIDRETNKVFYGEVPPYSVVVPGSTLSANNISIYCAIIVKKVDEKTRQKTSINEILRD
Complex: COA_D_4(3TDT) / Model_5(3TDT/A) = [6.5] Download1871.6330.83MQLEKIQSDVEDIWKNRSKLSNRSVKRAARVIIKKVIKLLDSGKIRVAERLSDGKWIVHTWIKQAISLYFLTEESKMIDHTGWWFDKVNNKFDGWNEEEFHQSKIRAVPGCFVRQSAYVGTNVVLMPSFINVGAYISSGTMIDTWSTIGSCAQIGKNCHVSGGVGIGGVLEPIQASPVIIEDNCFIGARSEVAEGVIIREGSVLGMGVFIGASTKIIDRETNKVFYGEVPPYSVVVPGSTLSANNISIYCAIIVKKVDEKTRQKTSINEILRD
Complex: COA_D_4(2TDT) / Model_4(2TDT/A) = [7.0] Download1823.1830.83MQLEKIQSDVEDIWKNRSKLSNRSVKRAARVIIKKVIKLLDSGKIRVAERLSDGKWIVHTWIKQAISLYFLTEESKMIDHTGWWFDKVNNKFDGWNEEEFHQSKIRAVPGCFVRQSAYVGTNVVLMPSFINVGAYISSGTMIDTWSTIGSCAQIGKNCHVSGGVGIGGVLEPIQASPVIIEDNCFIGARSEVAEGVIIREGSVLGMGVFIGASTKIIDRETNKVFYGEVPPYSVVVPGSTLSANNISIYCAIIVKKVDEKTRQKTSINEILRD
Consensus
[pKd Mean = 5.78]
-1618
(s=494)
32
(s=3)
MQLEKIQSDVEDIWKNRSKLSNRSVKRAARVIIKKVIKLLDSGKIRVAERLSDGKWIVHTWIKQAISLYFLTEESKMIDHTGWWFDKVNNKFDGWNEEEFHQSKIRAVPGCFVRQSAYVGTNVVLMPSFINVGAYISSGTMIDTWSTIGSCAQIGKNCHVSGGVGIGGVLEPIQASPVIIEDNCFIGARSEVAEGVIIREGSVLGMGVFIGASTKIIDRETNKVFYGEVPPYSVVVPGSTLSANNISIYCAIIVKKVDEKTRQKTSINEILRD