Study : bsu16550 (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: FOM_B_6(1ONP) / Model_34(1ONP/B) = [3.2] Download415.6810.00MKNICLLGATGSIGEQTLDVLRAHQDQFQLVSMSFGRNIDKAVPMIEVFQPKFVSVGDLDTYHKLKQMSFSFECQIGLGEEGLIEAAVMEEVDIVVNALLGSVGLIPTLKAIEQKKTIALANKETLVTAGHIVKEHAKKYDVPLLPVDSEHSAIFQALQGEQAKNIERLIITASGGSFRDKTREELESVTVEDALKHPNWSMGAKITIDSATMMNKGLEVIEAHWLFDIPYEQIDVVLHKESIIHSMVEFHDKSVIAQLGTPDMRVPIQYALTYPDRLPLPDAKRLELWEIGSLHFEKADFDRFRCLQFAFESGKIGGTMPTVLNAANEVAVAAFLAGKIPFLAIEDCIEKALTRHQLLKKPSLADIQEVDKDTRGYVNSILT
Complex: CBQ_B_7(1T1S) / Model_57(1T1S/B) = [3.2] Download718.427.41MKNICLLGATGSIGEQTLDVLRAHQDQFQLVSMSFGRNIDKAVPMIEVFQPKFVSVGDLDTYHKLKQMSFSFECQIGLGEEGLIEAAVMEEVDIVVNALLGSVGLIPTLKAIEQKKTIALANKETLVTAGHIVKEHAKKYDVPLLPVDSEHSAIFQALQGEQAKNIERLIITASGGSFRDKTREELESVTVEDALKHPNWSMGAKITIDSATMMNKGLEVIEAHWLFDIPYEQIDVVLHKESIIHSMVEFHDKSVIAQLGTPDMRVPIQYALTYPDRLPLPDAKRLELWEIGSLHFEKADFDRFRCLQFAFESGKIGGTMPTVLNAANEVAVAAFLAGKIPFLAIEDCIEKALTRHQLLKKPSLADIQEVDKDTRGYVNSILT
Complex: IMB_F_6(1T1R) / Model_60(1T1R/A) = [3.5] Download1022.4014.19MKNICLLGATGSIGEQTLDVLRAHQDQFQLVSMSFGRNIDKAVPMIEVFQPKFVSVGDLDTYHKLKQMSFSFECQIGLGEEGLIEAAVMEEVDIVVNALLGSVGLIPTLKAIEQKKTIALANKETLVTAGHIVKEHAKKYDVPLLPVDSEHSAIFQALQGEQAKNIERLIITASGGSFRDKTREELESVTVEDALKHPNWSMGAKITIDSATMMNKGLEVIEAHWLFDIPYEQIDVVLHKESIIHSMVEFHDKSVIAQLGTPDMRVPIQYALTYPDRLPLPDAKRLELWEIGSLHFEKADFDRFRCLQFAFESGKIGGTMPTVLNAANEVAVAAFLAGKIPFLAIEDCIEKALTRHQLLKKPSLADIQEVDKDTRGYVNSILT
Complex: C0K_B_6(3R0I) / Model_32(3R0I/B) = [3.7] Download1424.675.12MKNICLLGATGSIGEQTLDVLRAHQDQFQLVSMSFGRNIDKAVPMIEVFQPKFVSVGDLDTYHKLKQMSFSFECQIGLGEEGLIEAAVMEEVDIVVNALLGSVGLIPTLKAIEQKKTIALANKETLVTAGHIVKEHAKKYDVPLLPVDSEHSAIFQALQGEQAKNIERLIITASGGSFRDKTREELESVTVEDALKHPNWSMGAKITIDSATMMNKGLEVIEAHWLFDIPYEQIDVVLHKESIIHSMVEFHDKSVIAQLGTPDMRVPIQYALTYPDRLPLPDAKRLELWEIGSLHFEKADFDRFRCLQFAFESGKIGGTMPTVLNAANEVAVAAFLAGKIPFLAIEDCIEKALTRHQLLKKPSLADIQEVDKDTRGYVNSILT
Complex: C0K_A_4(3R0I) / Model_7(3R0I/A) = [3.8] Download1189.875.12MKNICLLGATGSIGEQTLDVLRAHQDQFQLVSMSFGRNIDKAVPMIEVFQPKFVSVGDLDTYHKLKQMSFSFECQIGLGEEGLIEAAVMEEVDIVVNALLGSVGLIPTLKAIEQKKTIALANKETLVTAGHIVKEHAKKYDVPLLPVDSEHSAIFQALQGEQAKNIERLIITASGGSFRDKTREELESVTVEDALKHPNWSMGAKITIDSATMMNKGLEVIEAHWLFDIPYEQIDVVLHKESIIHSMVEFHDKSVIAQLGTPDMRVPIQYALTYPDRLPLPDAKRLELWEIGSLHFEKADFDRFRCLQFAFESGKIGGTMPTVLNAANEVAVAAFLAGKIPFLAIEDCIEKALTRHQLLKKPSLADIQEVDKDTRGYVNSILT
Consensus
[pKd Mean = 3.48]
-954
(s=354)
8
(s=3)
MKNICLLGATGSIGEQTLDVLRAHQDQFQLVSMSFGRNIDKAVPMIEVFQPKFVSVGDLDTYHKLKQMSFSFECQIGLGEEGLIEAAVMEEVDIVVNALLGSVGLIPTLKAIEQKKTIALANKETLVTAGHIVKEHAKKYDVPLLPVDSEHSAIFQALQGEQAKNIERLIITASGGSFRDKTREELESVTVEDALKHPNWSMGAKITIDSATMMNKGLEVIEAHWLFDIPYEQIDVVLHKESIIHSMVEFHDKSVIAQLGTPDMRVPIQYALTYPDRLPLPDAKRLELWEIGSLHFEKADFDRFRCLQFAFESGKIGGTMPTVLNAANEVAVAAFLAGKIPFLAIEDCIEKALTRHQLLKKPSLADIQEVDKDTRGYVNSILT