Study : Wbm0518 (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: TLA_A_2(2Q9H) / Model_8(2Q9H/A) = [3.6] Download256.0716.75MSSQSPKRMYGTGNNFVIIDSRSINNLNWNYREIANQNGCDQIIVITNSSAADCFMHIYNADGGEVEMCGNAARCVGYLIMSEKSTEYATIELVNKRILECFKVGGRSIKVNMGKPLFKWHEIPLSAKCDPLHLPIELEMLKDPVAVNIGNPHMVFFVDNISEIPLQSLGPKLEKHTLFPKKVNVNIAQVEKSGEISLRVWERGTGITASCGSAACAALIASVLRGYLITRQTSVNLPGGKLLIEWPDNIFMTGDIGFL
Complex: ZDR_A_2(2GKJ) / Model_4(2GKJ/A) = [4.4] Download228.581.56MSSQSPKRMYGTGNNFVIIDSRSINNLNWNYREIANQNGCDQIIVITNSSAADCFMHIYNADGGEVEMCGNAARCVGYLIMSEKSTEYATIELVNKRILECFKVGGRSIKVNMGKPLFKWHEIPLSAKCDPLHLPIELEMLKDPVAVNIGNPHMVFFVDNISEIPLQSLGPKLEKHTLFPKKVNVNIAQVEKSGEISLRVWERGTGITASCGSAACAALIASVLRGYLITRQTSVNLPGGKLLIEWPDNIFMTGDIGFL
Complex: ZDP_A_2(2GKE) / Model_3(2GKE/A) = [5.5] Download185.321.56MSSQSPKRMYGTGNNFVIIDSRSINNLNWNYREIANQNGCDQIIVITNSSAADCFMHIYNADGGEVEMCGNAARCVGYLIMSEKSTEYATIELVNKRILECFKVGGRSIKVNMGKPLFKWHEIPLSAKCDPLHLPIELEMLKDPVAVNIGNPHMVFFVDNISEIPLQSLGPKLEKHTLFPKKVNVNIAQVEKSGEISLRVWERGTGITASCGSAACAALIASVLRGYLITRQTSVNLPGGKLLIEWPDNIFMTGDIGFL
Complex: ZDP_A_2(2GKE) / Model_28(2GKE/A) = [5.5] Download205.511.56MSSQSPKRMYGTGNNFVIIDSRSINNLNWNYREIANQNGCDQIIVITNSSAADCFMHIYNADGGEVEMCGNAARCVGYLIMSEKSTEYATIELVNKRILECFKVGGRSIKVNMGKPLFKWHEIPLSAKCDPLHLPIELEMLKDPVAVNIGNPHMVFFVDNISEIPLQSLGPKLEKHTLFPKKVNVNIAQVEKSGEISLRVWERGTGITASCGSAACAALIASVLRGYLITRQTSVNLPGGKLLIEWPDNIFMTGDIGFL
Consensus
[pKd Mean = 4.75]
-218
(s=26)
5
(s=6)
MSSQSPKRMYGTGNNFVIIDSRSINNLNWNYREIANQNGCDQIIVITNSSAADCFMHIYNADGGEVEMCGNAARCVGYLIMSEKSTEYATIELVNKRILECFKVGGRSIKVNMGKPLFKWHEIPLSAKCDPLHLPIELEMLKDPVAVNIGNPHMVFFVDNISEIPLQSLGPKLEKHTLFPKKVNVNIAQVEKSGEISLRVWERGTGITASCGSAACAALIASVLRGYLITRQTSVNLPGGKLLIEWPDNIFMTGDIGFL