Study : Z_NR3C3_PRGR (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: CPS_B_11(4FN9) / Model_20(4FN9/A) = [3.4] Download407.2275.17MLGGRKMKRFAGLKVMGLSPSLMFQSPLSLLTDGQTLSSLPCMSAMRELQLSPQMISILENIEPQVVYSGYDNTQPEVPHLLLNSLNRLCERQLLWIVRWSKSLPGFRNLHINDQMTLIQYSWMGLMLFSLGWRTFQNVTPDYLYFAPDLVLSNDQLRRSPIYDLCLAMQFVPQEFANLQVTKEEFLCMKALMLLNTVPLEGLKSQTQFDEMRQNYICELSKAIQLKEKGVVASSQRFYHLTKLMDNMHEIVKKVNLYCLSTFIQADAMKVEFPEMMTEVIASQLPKVLAGMVKPLMFHHK
Complex: CPS_B_11(4FN9) / Model_36(4FN9/B) = [3.5] Download425.5470.14MLGGRKMKRFAGLKVMGLSPSLMFQSPLSLLTDGQTLSSLPCMSAMRELQLSPQMISILENIEPQVVYSGYDNTQPEVPHLLLNSLNRLCERQLLWIVRWSKSLPGFRNLHINDQMTLIQYSWMGLMLFSLGWRTFQNVTPDYLYFAPDLVLSNDQLRRSPIYDLCLAMQFVPQEFANLQVTKEEFLCMKALMLLNTVPLEGLKSQTQFDEMRQNYICELSKAIQLKEKGVVASSQRFYHLTKLMDNMHEIVKKVNLYCLSTFIQADAMKVEFPEMMTEVIASQLPKVLAGMVKPLMFHHK
Complex: AS0_B_5(4A2J) / Model_24(4A2J/B) = [4.3] Download810.1659.11MLGGRKMKRFAGLKVMGLSPSLMFQSPLSLLTDGQTLSSLPCMSAMRELQLSPQMISILENIEPQVVYSGYDNTQPEVPHLLLNSLNRLCERQLLWIVRWSKSLPGFRNLHINDQMTLIQYSWMGLMLFSLGWRTFQNVTPDYLYFAPDLVLSNDQLRRSPIYDLCLAMQFVPQEFANLQVTKEEFLCMKALMLLNTVPLEGLKSQTQFDEMRQNYICELSKAIQLKEKGVVASSQRFYHLTKLMDNMHEIVKKVNLYCLSTFIQADAMKVEFPEMMTEVIASQLPKVLAGMVKPLMFHHK
Complex: AS0_C_3(2OVM) / Model_10(2OVM/A) = [4.6] Download1245.5453.08MLGGRKMKRFAGLKVMGLSPSLMFQSPLSLLTDGQTLSSLPCMSAMRELQLSPQMISILENIEPQVVYSGYDNTQPEVPHLLLNSLNRLCERQLLWIVRWSKSLPGFRNLHINDQMTLIQYSWMGLMLFSLGWRTFQNVTPDYLYFAPDLVLSNDQLRRSPIYDLCLAMQFVPQEFANLQVTKEEFLCMKALMLLNTVPLEGLKSQTQFDEMRQNYICELSKAIQLKEKGVVASSQRFYHLTKLMDNMHEIVKKVNLYCLSTFIQADAMKVEFPEMMTEVIASQLPKVLAGMVKPLMFHHK
Complex: 97A_A_5(5V8Q) / Model_42(5V8Q/A) = [4.6] Download545.7656.96MLGGRKMKRFAGLKVMGLSPSLMFQSPLSLLTDGQTLSSLPCMSAMRELQLSPQMISILENIEPQVVYSGYDNTQPEVPHLLLNSLNRLCERQLLWIVRWSKSLPGFRNLHINDQMTLIQYSWMGLMLFSLGWRTFQNVTPDYLYFAPDLVLSNDQLRRSPIYDLCLAMQFVPQEFANLQVTKEEFLCMKALMLLNTVPLEGLKSQTQFDEMRQNYICELSKAIQLKEKGVVASSQRFYHLTKLMDNMHEIVKKVNLYCLSTFIQADAMKVEFPEMMTEVIASQLPKVLAGMVKPLMFHHK
Consensus
[pKd Mean = 4.08]
-686
(s=314)
62
(s=8)
MLGGRKMKRFAGLKVMGLSPSLMFQSPLSLLTDGQTLSSLPCMSAMRELQLSPQMISILENIEPQVVYSGYDNTQPEVPHLLLNSLNRLCERQLLWIVRWSKSLPGFRNLHINDQMTLIQYSWMGLMLFSLGWRTFQNVTPDYLYFAPDLVLSNDQLRRSPIYDLCLAMQFVPQEFANLQVTKEEFLCMKALMLLNTVPLEGLKSQTQFDEMRQNYICELSKAIQLKEKGVVASSQRFYHLTKLMDNMHEIVKKVNLYCLSTFIQADAMKVEFPEMMTEVIASQLPKVLAGMVKPLMFHHK