Study : PA0402 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: AL0_A_10(2AIR) / Model_78(2AIR/A) = [3.1] Download903.671.83MPTDAKRPLQLNDQGQLRHFISLDGLPRELLTEILDTADSFLEVGARAVKKVPLLRGKTVCNVFFENSTRTRTTFELAAQRLSADVISLNVSTSSTSKGETLTDTLRNLEAMAADMFVVRHSDSGAAHFIAEHVSPNVAVINGGDGRHAHPTQGMLDMLTIRRHKGNFEQLSVAIVGDILHSRVARSNMLALKTLGCPDIRVIAPRTLLPIGLEEQYGVRVFTNADEGLKDVDVVIMLRLQRERMQGGLLPSEGEFFKLYGLTEKRLKLAKPDAIVMHPGPINRGVEIESAVADGAQSVILNQVTYGIAIRMAVLSMAMSGQNTQRQLEQEDAE
Complex: PCT_C_10(2HSE) / Model_49(2HSE/C) = [3.2] Download447.4011.89MPTDAKRPLQLNDQGQLRHFISLDGLPRELLTEILDTADSFLEVGARAVKKVPLLRGKTVCNVFFENSTRTRTTFELAAQRLSADVISLNVSTSSTSKGETLTDTLRNLEAMAADMFVVRHSDSGAAHFIAEHVSPNVAVINGGDGRHAHPTQGMLDMLTIRRHKGNFEQLSVAIVGDILHSRVARSNMLALKTLGCPDIRVIAPRTLLPIGLEEQYGVRVFTNADEGLKDVDVVIMLRLQRERMQGGLLPSEGEFFKLYGLTEKRLKLAKPDAIVMHPGPINRGVEIESAVADGAQSVILNQVTYGIAIRMAVLSMAMSGQNTQRQLEQEDAE
Complex: CP_A_10(1ZA2) / Model_80(1ZA2/A) = [3.2] Download354.738.43MPTDAKRPLQLNDQGQLRHFISLDGLPRELLTEILDTADSFLEVGARAVKKVPLLRGKTVCNVFFENSTRTRTTFELAAQRLSADVISLNVSTSSTSKGETLTDTLRNLEAMAADMFVVRHSDSGAAHFIAEHVSPNVAVINGGDGRHAHPTQGMLDMLTIRRHKGNFEQLSVAIVGDILHSRVARSNMLALKTLGCPDIRVIAPRTLLPIGLEEQYGVRVFTNADEGLKDVDVVIMLRLQRERMQGGLLPSEGEFFKLYGLTEKRLKLAKPDAIVMHPGPINRGVEIESAVADGAQSVILNQVTYGIAIRMAVLSMAMSGQNTQRQLEQEDAE
Complex: EOP_A_7(2FZC) / Model_76(2FZC/A) = [3.3] Download1092.398.10MPTDAKRPLQLNDQGQLRHFISLDGLPRELLTEILDTADSFLEVGARAVKKVPLLRGKTVCNVFFENSTRTRTTFELAAQRLSADVISLNVSTSSTSKGETLTDTLRNLEAMAADMFVVRHSDSGAAHFIAEHVSPNVAVINGGDGRHAHPTQGMLDMLTIRRHKGNFEQLSVAIVGDILHSRVARSNMLALKTLGCPDIRVIAPRTLLPIGLEEQYGVRVFTNADEGLKDVDVVIMLRLQRERMQGGLLPSEGEFFKLYGLTEKRLKLAKPDAIVMHPGPINRGVEIESAVADGAQSVILNQVTYGIAIRMAVLSMAMSGQNTQRQLEQEDAE
Complex: CP_B_11(3R7F) / Model_27(3R7F/B) = [3.5] Download404.4212.77MPTDAKRPLQLNDQGQLRHFISLDGLPRELLTEILDTADSFLEVGARAVKKVPLLRGKTVCNVFFENSTRTRTTFELAAQRLSADVISLNVSTSSTSKGETLTDTLRNLEAMAADMFVVRHSDSGAAHFIAEHVSPNVAVINGGDGRHAHPTQGMLDMLTIRRHKGNFEQLSVAIVGDILHSRVARSNMLALKTLGCPDIRVIAPRTLLPIGLEEQYGVRVFTNADEGLKDVDVVIMLRLQRERMQGGLLPSEGEFFKLYGLTEKRLKLAKPDAIVMHPGPINRGVEIESAVADGAQSVILNQVTYGIAIRMAVLSMAMSGQNTQRQLEQEDAE
Consensus
[pKd Mean = 3.26]
-640
(s=299)
8
(s=3)
MPTDAKRPLQLNDQGQLRHFISLDGLPRELLTEILDTADSFLEVGARAVKKVPLLRGKTVCNVFFENSTRTRTTFELAAQRLSADVISLNVSTSSTSKGETLTDTLRNLEAMAADMFVVRHSDSGAAHFIAEHVSPNVAVINGGDGRHAHPTQGMLDMLTIRRHKGNFEQLSVAIVGDILHSRVARSNMLALKTLGCPDIRVIAPRTLLPIGLEEQYGVRVFTNADEGLKDVDVVIMLRLQRERMQGGLLPSEGEFFKLYGLTEKRLKLAKPDAIVMHPGPINRGVEIESAVADGAQSVILNQVTYGIAIRMAVLSMAMSGQNTQRQLEQEDAE