Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
Complex: ADP_A_3(4P32) / Model_15(4P32/A) = [6.3]
| Download | 1334.84 | 10.88 | MSAPSSFAPPRLELRGISKRYPGCLANDRIDLCIDAGEIHALLGENGAGKSTLMKIIYGVTRPDAGEIRWQGEPVQVRDPARARALGIGMVFQHFSLFETLSVAENIALALGAEAGSPRRLEARIREVSQRYGMPLEPRRLVHGLSIGERQRVEIVRCLMQDIRLLILDEPTSVLTPREAEDLFVTLRRLAEEGCSVLFISHKLAEVRALCQRATVLRGGRVAGQCVPAQCSDLELARLMVGDAEGLAAEYPKVTGGAPFLQVRDLHWRNPDPFGVSFAGLDLEVRSGEILGIAGVAGNGQDELLALLSGEVRLPRAQAERIRLGGCAGAHLAPDARRRAGQAFVPAERLGHGAVPEMSLADNALLTAFQQGLVKRGLVRRRKVLALAEEIIRRFAVKAPGAGAPARSLSGGNLQKFILGREILQAPRLLVAAHPTWGVDVGAAALIHRALIALRDAGTAILVVSEDLDELFLLSDRIAALCSGRLCPAVATASASPQKVGGWMAGQFEAPAAVAGAVAQGSL |
Complex: ADP_A_3(4P31) / Model_20(4P31/A) = [6.4]
| Download | 994.53 | 37.76 | MSAPSSFAPPRLELRGISKRYPGCLANDRIDLCIDAGEIHALLGENGAGKSTLMKIIYGVTRPDAGEIRWQGEPVQVRDPARARALGIGMVFQHFSLFETLSVAENIALALGAEAGSPRRLEARIREVSQRYGMPLEPRRLVHGLSIGERQRVEIVRCLMQDIRLLILDEPTSVLTPREAEDLFVTLRRLAEEGCSVLFISHKLAEVRALCQRATVLRGGRVAGQCVPAQCSDLELARLMVGDAEGLAAEYPKVTGGAPFLQVRDLHWRNPDPFGVSFAGLDLEVRSGEILGIAGVAGNGQDELLALLSGEVRLPRAQAERIRLGGCAGAHLAPDARRRAGQAFVPAERLGHGAVPEMSLADNALLTAFQQGLVKRGLVRRRKVLALAEEIIRRFAVKAPGAGAPARSLSGGNLQKFILGREILQAPRLLVAAHPTWGVDVGAAALIHRALIALRDAGTAILVVSEDLDELFLLSDRIAALCSGRLCPAVATASASPQKVGGWMAGQFEAPAAVAGAVAQGSL |
Complex: ADP_B_5(4P32) / Model_22(4P32/B) = [6.5]
| Download | 1287.40 | 10.88 | MSAPSSFAPPRLELRGISKRYPGCLANDRIDLCIDAGEIHALLGENGAGKSTLMKIIYGVTRPDAGEIRWQGEPVQVRDPARARALGIGMVFQHFSLFETLSVAENIALALGAEAGSPRRLEARIREVSQRYGMPLEPRRLVHGLSIGERQRVEIVRCLMQDIRLLILDEPTSVLTPREAEDLFVTLRRLAEEGCSVLFISHKLAEVRALCQRATVLRGGRVAGQCVPAQCSDLELARLMVGDAEGLAAEYPKVTGGAPFLQVRDLHWRNPDPFGVSFAGLDLEVRSGEILGIAGVAGNGQDELLALLSGEVRLPRAQAERIRLGGCAGAHLAPDARRRAGQAFVPAERLGHGAVPEMSLADNALLTAFQQGLVKRGLVRRRKVLALAEEIIRRFAVKAPGAGAPARSLSGGNLQKFILGREILQAPRLLVAAHPTWGVDVGAAALIHRALIALRDAGTAILVVSEDLDELFLLSDRIAALCSGRLCPAVATASASPQKVGGWMAGQFEAPAAVAGAVAQGSL |
Consensus [pKd Mean = 6.40] | - | 1205 (s=150) | 19 (s=12) | MSAPSSFAPPRLELRGISKRYPGCLANDRIDLCIDAGEIHALLGENGAGKSTLMKIIYGVTRPDAGEIRWQGEPVQVRDPARARALGIGMVFQHFSLFETLSVAENIALALGAEAGSPRRLEARIREVSQRYGMPLEPRRLVHGLSIGERQRVEIVRCLMQDIRLLILDEPTSVLTPREAEDLFVTLRRLAEEGCSVLFISHKLAEVRALCQRATVLRGGRVAGQCVPAQCSDLELARLMVGDAEGLAAEYPKVTGGAPFLQVRDLHWRNPDPFGVSFAGLDLEVRSGEILGIAGVAGNGQDELLALLSGEVRLPRAQAERIRLGGCAGAHLAPDARRRAGQAFVPAERLGHGAVPEMSLADNALLTAFQQGLVKRGLVRRRKVLALAEEIIRRFAVKAPGAGAPARSLSGGNLQKFILGREILQAPRLLVAAHPTWGVDVGAAALIHRALIALRDAGTAILVVSEDLDELFLLSDRIAALCSGRLCPAVATASASPQKVGGWMAGQFEAPAAVAGAVAQGSL |