Study : Wbm0642 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: NACID_C_2(3O3F) / Model_2(3O3F/A) = [4.2] Download--MAYPDFTLENKLSGVIAGVDEVGRGPLAGPVMSAAVVFTNRNIIIEGINDSKKLTAKNRQVLYEKIISVAKFGIGMASVAEINSYNILQATKLSMERALVNLGIELDYVLVDGNQPPKVKWQVKSIVKGDSLSVSVAAASIVAKVARDQLMQELHNQYPEYNWYKNKGYGTKGHIDAINLYGVTEHHRKSFAPILNSTKRALL
Complex: NACID_C_2(3O3G) / Model_1(3O3G/A) = [4.6] Download--MAYPDFTLENKLSGVIAGVDEVGRGPLAGPVMSAAVVFTNRNIIIEGINDSKKLTAKNRQVLYEKIISVAKFGIGMASVAEINSYNILQATKLSMERALVNLGIELDYVLVDGNQPPKVKWQVKSIVKGDSLSVSVAAASIVAKVARDQLMQELHNQYPEYNWYKNKGYGTKGHIDAINLYGVTEHHRKSFAPILNSTKRALL
Complex: NACID_C_2(4HHT) / Model_4(4HHT/A) = [4.7] Download--MAYPDFTLENKLSGVIAGVDEVGRGPLAGPVMSAAVVFTNRNIIIEGINDSKKLTAKNRQVLYEKIISVAKFGIGMASVAEINSYNILQATKLSMERALVNLGIELDYVLVDGNQPPKVKWQVKSIVKGDSLSVSVAAASIVAKVARDQLMQELHNQYPEYNWYKNKGYGTKGHIDAINLYGVTEHHRKSFAPILNSTKRALL
Complex: NACID_C_2(4HHT) / Model_35(4HHT/A) = [4.7] Download--MAYPDFTLENKLSGVIAGVDEVGRGPLAGPVMSAAVVFTNRNIIIEGINDSKKLTAKNRQVLYEKIISVAKFGIGMASVAEINSYNILQATKLSMERALVNLGIELDYVLVDGNQPPKVKWQVKSIVKGDSLSVSVAAASIVAKVARDQLMQELHNQYPEYNWYKNKGYGTKGHIDAINLYGVTEHHRKSFAPILNSTKRALL
Complex: NACID_C_2(3O3H) / Model_3(3O3H/A) = [5.0] Download--MAYPDFTLENKLSGVIAGVDEVGRGPLAGPVMSAAVVFTNRNIIIEGINDSKKLTAKNRQVLYEKIISVAKFGIGMASVAEINSYNILQATKLSMERALVNLGIELDYVLVDGNQPPKVKWQVKSIVKGDSLSVSVAAASIVAKVARDQLMQELHNQYPEYNWYKNKGYGTKGHIDAINLYGVTEHHRKSFAPILNSTKRALL
Consensus
[pKd Mean = 4.64]
-0
(s=0)
0
(s=0)
MAYPDFTLENKLSGVIAGVDEVGRGPLAGPVMSAAVVFTNRNIIIEGINDSKKLTAKNRQVLYEKIISVAKFGIGMASVAEINSYNILQATKLSMERALVNLGIELDYVLVDGNQPPKVKWQVKSIVKGDSLSVSVAAASIVAKVARDQLMQELHNQYPEYNWYKNKGYGTKGHIDAINLYGVTEHHRKSFAPILNSTKRALL