Study : bsu21820 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C8_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 C8_S1
Complex: CIT_A_5(3V8H) / Model_113(3V8H/A) = [3.2] Download762.491.87MTQFDKQYNSIIKDIINNGISDEEFDVRTKWDSDGTPAHTLSVMSKQMRFDNSEVPILTTKKVAWKTAIKELLWIWQLKSNDVNDLNKMGVHIWDQWKQEDGTIGHAYGFQLGKKNRSLNGEKVDQVDYLLHQLKNNPSSRRHITMLWNPDDLDAMSLTPCVYETQWYVKHGKLHLEVRARSNDMALGNPFNVFQYNVLQRMIAQVTGYELGEYIFNIGDCHVYTRHIDNLKIQMEREQFEAPELWINPEVKDFYNFTIDDFKLINYKHGDKLLFEVAV
Complex: UMP_E_5(1F28) / Model_108(1F28/A) = [3.6] Download961.0919.73MTQFDKQYNSIIKDIINNGISDEEFDVRTKWDSDGTPAHTLSVMSKQMRFDNSEVPILTTKKVAWKTAIKELLWIWQLKSNDVNDLNKMGVHIWDQWKQEDGTIGHAYGFQLGKKNRSLNGEKVDQVDYLLHQLKNNPSSRRHITMLWNPDDLDAMSLTPCVYETQWYVKHGKLHLEVRARSNDMALGNPFNVFQYNVLQRMIAQVTGYELGEYIFNIGDCHVYTRHIDNLKIQMEREQFEAPELWINPEVKDFYNFTIDDFKLINYKHGDKLLFEVAV
Complex: D16_L_12(2TSR) / Model_72(2TSR/D) = [3.7] Download2217.2225.52MTQFDKQYNSIIKDIINNGISDEEFDVRTKWDSDGTPAHTLSVMSKQMRFDNSEVPILTTKKVAWKTAIKELLWIWQLKSNDVNDLNKMGVHIWDQWKQEDGTIGHAYGFQLGKKNRSLNGEKVDQVDYLLHQLKNNPSSRRHITMLWNPDDLDAMSLTPCVYETQWYVKHGKLHLEVRARSNDMALGNPFNVFQYNVLQRMIAQVTGYELGEYIFNIGDCHVYTRHIDNLKIQMEREQFEAPELWINPEVKDFYNFTIDDFKLINYKHGDKLLFEVAV
Complex: UFP_D_8(3EJL) / Model_41(3EJL/D) = [3.9] Download1346.6719.94MTQFDKQYNSIIKDIINNGISDEEFDVRTKWDSDGTPAHTLSVMSKQMRFDNSEVPILTTKKVAWKTAIKELLWIWQLKSNDVNDLNKMGVHIWDQWKQEDGTIGHAYGFQLGKKNRSLNGEKVDQVDYLLHQLKNNPSSRRHITMLWNPDDLDAMSLTPCVYETQWYVKHGKLHLEVRARSNDMALGNPFNVFQYNVLQRMIAQVTGYELGEYIFNIGDCHVYTRHIDNLKIQMEREQFEAPELWINPEVKDFYNFTIDDFKLINYKHGDKLLFEVAV
Complex: NOH_B_4(4EIN) / Model_22(4EIN/B) = [3.9] Download1446.9418.56MTQFDKQYNSIIKDIINNGISDEEFDVRTKWDSDGTPAHTLSVMSKQMRFDNSEVPILTTKKVAWKTAIKELLWIWQLKSNDVNDLNKMGVHIWDQWKQEDGTIGHAYGFQLGKKNRSLNGEKVDQVDYLLHQLKNNPSSRRHITMLWNPDDLDAMSLTPCVYETQWYVKHGKLHLEVRARSNDMALGNPFNVFQYNVLQRMIAQVTGYELGEYIFNIGDCHVYTRHIDNLKIQMEREQFEAPELWINPEVKDFYNFTIDDFKLINYKHGDKLLFEVAV
Consensus
[pKd Mean = 3.66]
-1346
(s=501)
17
(s=8)
MTQFDKQYNSIIKDIINNGISDEEFDVRTKWDSDGTPAHTLSVMSKQMRFDNSEVPILTTKKVAWKTAIKELLWIWQLKSNDVNDLNKMGVHIWDQWKQEDGTIGHAYGFQLGKKNRSLNGEKVDQVDYLLHQLKNNPSSRRHITMLWNPDDLDAMSLTPCVYETQWYVKHGKLHLEVRARSNDMALGNPFNVFQYNVLQRMIAQVTGYELGEYIFNIGDCHVYTRHIDNLKIQMEREQFEAPELWINPEVKDFYNFTIDDFKLINYKHGDKLLFEVAV