Study : B7DRV0_9BACL (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: AMP_A_3(4R78) / Model_64(4R78/A) = [3.7] Download909.5413.48MLACGSDDLRTEEGLRIAALYGWDPEDTACQLLQRGENGTFLVRTSGTRYILRRYRRERYREQEILAELAWMCALRDHINVPNVIANTEGDLATRLVGPDGERLYAVFEFIEGESPESSSSEDYRRLGELMKALHRGADAIAQSMNEDWAGWNRPVYDVQRAVREPLRHLLQFEALSEVNKTRCVSVARELERRFRTLQPGRPFVHADLHFGNIVVREPNWYCLDFDECGYGHRAFDLGVVRLHLRNRSDNFDCWAHFEHGYGDMPSRGDLATGTAARIFYMAGKIPMRQDIDSLRHNPDARIGKYLTWIEDELM
Complex: BEZ_A_2(6EF6) / Model_53(6EF6/A) = [4.0] Download318.8511.41MLACGSDDLRTEEGLRIAALYGWDPEDTACQLLQRGENGTFLVRTSGTRYILRRYRRERYREQEILAELAWMCALRDHINVPNVIANTEGDLATRLVGPDGERLYAVFEFIEGESPESSSSEDYRRLGELMKALHRGADAIAQSMNEDWAGWNRPVYDVQRAVREPLRHLLQFEALSEVNKTRCVSVARELERRFRTLQPGRPFVHADLHFGNIVVREPNWYCLDFDECGYGHRAFDLGVVRLHLRNRSDNFDCWAHFEHGYGDMPSRGDLATGTAARIFYMAGKIPMRQDIDSLRHNPDARIGKYLTWIEDELM
Consensus
[pKd Mean = 3.85]
-614
(s=295)
12
(s=1)
MLACGSDDLRTEEGLRIAALYGWDPEDTACQLLQRGENGTFLVRTSGTRYILRRYRRERYREQEILAELAWMCALRDHINVPNVIANTEGDLATRLVGPDGERLYAVFEFIEGESPESSSSEDYRRLGELMKALHRGADAIAQSMNEDWAGWNRPVYDVQRAVREPLRHLLQFEALSEVNKTRCVSVARELERRFRTLQPGRPFVHADLHFGNIVVREPNWYCLDFDECGYGHRAFDLGVVRLHLRNRSDNFDCWAHFEHGYGDMPSRGDLATGTAARIFYMAGKIPMRQDIDSLRHNPDARIGKYLTWIEDELM