Study : bsu09470 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C10_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 C10_S1
Complex: GLY_A_2(3F4J) / Model_17(3F4J/A) = [4.2] Download7072.7445.32MSEQKPVQWASKIGFVMAAAGSAIGLGAIWKFPYVAGTNGGGAFFLIFVLFTILLGYPLLVGEFIFGRRNQTNAIDAYKKEAPRSAWFLTGWIGVAACFLVLSFYSVIGGWILLYIVKTASGSLSGLSQAQYGALFASIIQNPVQTLAAQLVFMALTVLVVARGVQKGIERVSAVMMPILFLLFILLVLRSLTLNGAMEGVKFLLVPHFGDLTPESILFALGQAFFTLTLGVSVMVTYSSYLPKTQNIPRSAASIVLMNIIVTLLAGLAIFPAVFSFGFQPNEGPTLLFTVLPAVFEQLPFGTLFFIGFLVAFLFAALTSAFSMVEIIVATIGKGDEKKRKKLSWTSGLLIFLVGIPCCLSYGVLSDVHLFGKTFFDIADFTVSNVLMPSGALLISLFIPLKISKSELLAEMRNGSNAGKAFFYTWFYLLRFIVPLAIIIVFLNLIGILSF
Complex: TRP_A_2(4US3) / Model_57(4US3/A) = [4.4] Download3614.9847.29MSEQKPVQWASKIGFVMAAAGSAIGLGAIWKFPYVAGTNGGGAFFLIFVLFTILLGYPLLVGEFIFGRRNQTNAIDAYKKEAPRSAWFLTGWIGVAACFLVLSFYSVIGGWILLYIVKTASGSLSGLSQAQYGALFASIIQNPVQTLAAQLVFMALTVLVVARGVQKGIERVSAVMMPILFLLFILLVLRSLTLNGAMEGVKFLLVPHFGDLTPESILFALGQAFFTLTLGVSVMVTYSSYLPKTQNIPRSAASIVLMNIIVTLLAGLAIFPAVFSFGFQPNEGPTLLFTVLPAVFEQLPFGTLFFIGFLVAFLFAALTSAFSMVEIIVATIGKGDEKKRKKLSWTSGLLIFLVGIPCCLSYGVLSDVHLFGKTFFDIADFTVSNVLMPSGALLISLFIPLKISKSELLAEMRNGSNAGKAFFYTWFYLLRFIVPLAIIIVFLNLIGILSF
Complex: TRP_A_2(4US3) / Model_1(4US3/A) = [4.4] Download4001.0246.37MSEQKPVQWASKIGFVMAAAGSAIGLGAIWKFPYVAGTNGGGAFFLIFVLFTILLGYPLLVGEFIFGRRNQTNAIDAYKKEAPRSAWFLTGWIGVAACFLVLSFYSVIGGWILLYIVKTASGSLSGLSQAQYGALFASIIQNPVQTLAAQLVFMALTVLVVARGVQKGIERVSAVMMPILFLLFILLVLRSLTLNGAMEGVKFLLVPHFGDLTPESILFALGQAFFTLTLGVSVMVTYSSYLPKTQNIPRSAASIVLMNIIVTLLAGLAIFPAVFSFGFQPNEGPTLLFTVLPAVFEQLPFGTLFFIGFLVAFLFAALTSAFSMVEIIVATIGKGDEKKRKKLSWTSGLLIFLVGIPCCLSYGVLSDVHLFGKTFFDIADFTVSNVLMPSGALLISLFIPLKISKSELLAEMRNGSNAGKAFFYTWFYLLRFIVPLAIIIVFLNLIGILSF
Complex: ALA_A_10(3F48) / Model_16(3F48/A) = [4.4] Download9494.9343.72MSEQKPVQWASKIGFVMAAAGSAIGLGAIWKFPYVAGTNGGGAFFLIFVLFTILLGYPLLVGEFIFGRRNQTNAIDAYKKEAPRSAWFLTGWIGVAACFLVLSFYSVIGGWILLYIVKTASGSLSGLSQAQYGALFASIIQNPVQTLAAQLVFMALTVLVVARGVQKGIERVSAVMMPILFLLFILLVLRSLTLNGAMEGVKFLLVPHFGDLTPESILFALGQAFFTLTLGVSVMVTYSSYLPKTQNIPRSAASIVLMNIIVTLLAGLAIFPAVFSFGFQPNEGPTLLFTVLPAVFEQLPFGTLFFIGFLVAFLFAALTSAFSMVEIIVATIGKGDEKKRKKLSWTSGLLIFLVGIPCCLSYGVLSDVHLFGKTFFDIADFTVSNVLMPSGALLISLFIPLKISKSELLAEMRNGSNAGKAFFYTWFYLLRFIVPLAIIIVFLNLIGILSF
Complex: TRP_A_2(4US3) / Model_66(4US3/A) = [4.4] Download2922.4946.94MSEQKPVQWASKIGFVMAAAGSAIGLGAIWKFPYVAGTNGGGAFFLIFVLFTILLGYPLLVGEFIFGRRNQTNAIDAYKKEAPRSAWFLTGWIGVAACFLVLSFYSVIGGWILLYIVKTASGSLSGLSQAQYGALFASIIQNPVQTLAAQLVFMALTVLVVARGVQKGIERVSAVMMPILFLLFILLVLRSLTLNGAMEGVKFLLVPHFGDLTPESILFALGQAFFTLTLGVSVMVTYSSYLPKTQNIPRSAASIVLMNIIVTLLAGLAIFPAVFSFGFQPNEGPTLLFTVLPAVFEQLPFGTLFFIGFLVAFLFAALTSAFSMVEIIVATIGKGDEKKRKKLSWTSGLLIFLVGIPCCLSYGVLSDVHLFGKTFFDIADFTVSNVLMPSGALLISLFIPLKISKSELLAEMRNGSNAGKAFFYTWFYLLRFIVPLAIIIVFLNLIGILSF
Consensus
[pKd Mean = 4.36]
-5421
(s=2483)
45
(s=1)
MSEQKPVQWASKIGFVMAAAGSAIGLGAIWKFPYVAGTNGGGAFFLIFVLFTILLGYPLLVGEFIFGRRNQTNAIDAYKKEAPRSAWFLTGWIGVAACFLVLSFYSVIGGWILLYIVKTASGSLSGLSQAQYGALFASIIQNPVQTLAAQLVFMALTVLVVARGVQKGIERVSAVMMPILFLLFILLVLRSLTLNGAMEGVKFLLVPHFGDLTPESILFALGQAFFTLTLGVSVMVTYSSYLPKTQNIPRSAASIVLMNIIVTLLAGLAIFPAVFSFGFQPNEGPTLLFTVLPAVFEQLPFGTLFFIGFLVAFLFAALTSAFSMVEIIVATIGKGDEKKRKKLSWTSGLLIFLVGIPCCLSYGVLSDVHLFGKTFFDIADFTVSNVLMPSGALLISLFIPLKISKSELLAEMRNGSNAGKAFFYTWFYLLRFIVPLAIIIVFLNLIGILSF