| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C8_S1 |
| Complex: PLP_A_3(2PB0) / Model_93(2PB0/A) = [3.1]
| Download | 784.11 | 29.48 | MTTAKTPEFSNAQVIELLLQQYKLSGQLKKLPGYCDQNLLLNTDDGKQYIVKIANAVEPKLELEMQNAAMAHLTHKQCAVPCAVNNIQGDNISIITDVSKQSFCLRVLTFIPGKFYADANSNTHSRALWTDLGQFIGNIDLALADFQHPGAFRYLDWDLAQGYRVCMSKKHLLNPQQVNLVDKFLSLYQTQTMPVLSQLPQGVIHNDANDYNLLIDDINTPNKISGLIDFGDMVHSHIVNELAIACAYALMGEKSVHEDILSALTSIVAGYHKIRPLLDVELEVLYSLIALRLCTTVCNAALAIQQQPDNEYLLVSVQPAWQLLEQLSAVNSYAVLCQLRLACQLPVDSGQSAAEIINYRKKHLGKTLSLSYQQPLKMVRGQGAYLFNEQGVPYLDMVNNVCHVGHCHPKVVAAGQAQLAKLNTNTRYLHDNIVNYADKLLATMPDKLSVCMLVNSGSEANELAFRLARCFTKSRELLVVDGAYHGNTNACIEASPYKFDGPGGEGAPAYVHKVTLPDPYRGEFLGNNSDAATAYANSVKETIEQLALNNKKPGAFICESLQGVAGQIIMPDGYLTQVYAHVRAAGGVCIADEVQVGFGRVGSHMWAFETQNVIPDIVTLGKPIGNGHPMAAVITTQEIADAFVTGMEYFNTFGGNPVSCAIGIAVLDVIEQEQLQNHALTTGQYFQDQLNKLKQRFELIGDVRGKGLFIGVELVEDRTTKQPATDKTSWLIEHFKQHHILLSTEGPFYNILKIKPPLAFNSGDADKFINVLELGLAVLSH |
| Complex: PLP_B_4(2PB0) / Model_92(2PB0/B) = [3.2]
| Download | 780.76 | 27.68 | MTTAKTPEFSNAQVIELLLQQYKLSGQLKKLPGYCDQNLLLNTDDGKQYIVKIANAVEPKLELEMQNAAMAHLTHKQCAVPCAVNNIQGDNISIITDVSKQSFCLRVLTFIPGKFYADANSNTHSRALWTDLGQFIGNIDLALADFQHPGAFRYLDWDLAQGYRVCMSKKHLLNPQQVNLVDKFLSLYQTQTMPVLSQLPQGVIHNDANDYNLLIDDINTPNKISGLIDFGDMVHSHIVNELAIACAYALMGEKSVHEDILSALTSIVAGYHKIRPLLDVELEVLYSLIALRLCTTVCNAALAIQQQPDNEYLLVSVQPAWQLLEQLSAVNSYAVLCQLRLACQLPVDSGQSAAEIINYRKKHLGKTLSLSYQQPLKMVRGQGAYLFNEQGVPYLDMVNNVCHVGHCHPKVVAAGQAQLAKLNTNTRYLHDNIVNYADKLLATMPDKLSVCMLVNSGSEANELAFRLARCFTKSRELLVVDGAYHGNTNACIEASPYKFDGPGGEGAPAYVHKVTLPDPYRGEFLGNNSDAATAYANSVKETIEQLALNNKKPGAFICESLQGVAGQIIMPDGYLTQVYAHVRAAGGVCIADEVQVGFGRVGSHMWAFETQNVIPDIVTLGKPIGNGHPMAAVITTQEIADAFVTGMEYFNTFGGNPVSCAIGIAVLDVIEQEQLQNHALTTGQYFQDQLNKLKQRFELIGDVRGKGLFIGVELVEDRTTKQPATDKTSWLIEHFKQHHILLSTEGPFYNILKIKPPLAFNSGDADKFINVLELGLAVLSH |
| Complex: P00_B_18(4JEZ) / Model_88(4JEZ/B) = [3.5]
| Download | 1101.95 | 26.26 | MTTAKTPEFSNAQVIELLLQQYKLSGQLKKLPGYCDQNLLLNTDDGKQYIVKIANAVEPKLELEMQNAAMAHLTHKQCAVPCAVNNIQGDNISIITDVSKQSFCLRVLTFIPGKFYADANSNTHSRALWTDLGQFIGNIDLALADFQHPGAFRYLDWDLAQGYRVCMSKKHLLNPQQVNLVDKFLSLYQTQTMPVLSQLPQGVIHNDANDYNLLIDDINTPNKISGLIDFGDMVHSHIVNELAIACAYALMGEKSVHEDILSALTSIVAGYHKIRPLLDVELEVLYSLIALRLCTTVCNAALAIQQQPDNEYLLVSVQPAWQLLEQLSAVNSYAVLCQLRLACQLPVDSGQSAAEIINYRKKHLGKTLSLSYQQPLKMVRGQGAYLFNEQGVPYLDMVNNVCHVGHCHPKVVAAGQAQLAKLNTNTRYLHDNIVNYADKLLATMPDKLSVCMLVNSGSEANELAFRLARCFTKSRELLVVDGAYHGNTNACIEASPYKFDGPGGEGAPAYVHKVTLPDPYRGEFLGNNSDAATAYANSVKETIEQLALNNKKPGAFICESLQGVAGQIIMPDGYLTQVYAHVRAAGGVCIADEVQVGFGRVGSHMWAFETQNVIPDIVTLGKPIGNGHPMAAVITTQEIADAFVTGMEYFNTFGGNPVSCAIGIAVLDVIEQEQLQNHALTTGQYFQDQLNKLKQRFELIGDVRGKGLFIGVELVEDRTTKQPATDKTSWLIEHFKQHHILLSTEGPFYNILKIKPPLAFNSGDADKFINVLELGLAVLSH |
| Complex: PLP_B_8(5G4I) / Model_22(5G4I/B) = [3.6]
| Download | 672.97 | 21.16 | MTTAKTPEFSNAQVIELLLQQYKLSGQLKKLPGYCDQNLLLNTDDGKQYIVKIANAVEPKLELEMQNAAMAHLTHKQCAVPCAVNNIQGDNISIITDVSKQSFCLRVLTFIPGKFYADANSNTHSRALWTDLGQFIGNIDLALADFQHPGAFRYLDWDLAQGYRVCMSKKHLLNPQQVNLVDKFLSLYQTQTMPVLSQLPQGVIHNDANDYNLLIDDINTPNKISGLIDFGDMVHSHIVNELAIACAYALMGEKSVHEDILSALTSIVAGYHKIRPLLDVELEVLYSLIALRLCTTVCNAALAIQQQPDNEYLLVSVQPAWQLLEQLSAVNSYAVLCQLRLACQLPVDSGQSAAEIINYRKKHLGKTLSLSYQQPLKMVRGQGAYLFNEQGVPYLDMVNNVCHVGHCHPKVVAAGQAQLAKLNTNTRYLHDNIVNYADKLLATMPDKLSVCMLVNSGSEANELAFRLARCFTKSRELLVVDGAYHGNTNACIEASPYKFDGPGGEGAPAYVHKVTLPDPYRGEFLGNNSDAATAYANSVKETIEQLALNNKKPGAFICESLQGVAGQIIMPDGYLTQVYAHVRAAGGVCIADEVQVGFGRVGSHMWAFETQNVIPDIVTLGKPIGNGHPMAAVITTQEIADAFVTGMEYFNTFGGNPVSCAIGIAVLDVIEQEQLQNHALTTGQYFQDQLNKLKQRFELIGDVRGKGLFIGVELVEDRTTKQPATDKTSWLIEHFKQHHILLSTEGPFYNILKIKPPLAFNSGDADKFINVLELGLAVLSH |
| Complex: PLP_A_3(5G4I) / Model_1(5G4I/A) = [3.7]
| Download | 744.80 | 22.26 | MTTAKTPEFSNAQVIELLLQQYKLSGQLKKLPGYCDQNLLLNTDDGKQYIVKIANAVEPKLELEMQNAAMAHLTHKQCAVPCAVNNIQGDNISIITDVSKQSFCLRVLTFIPGKFYADANSNTHSRALWTDLGQFIGNIDLALADFQHPGAFRYLDWDLAQGYRVCMSKKHLLNPQQVNLVDKFLSLYQTQTMPVLSQLPQGVIHNDANDYNLLIDDINTPNKISGLIDFGDMVHSHIVNELAIACAYALMGEKSVHEDILSALTSIVAGYHKIRPLLDVELEVLYSLIALRLCTTVCNAALAIQQQPDNEYLLVSVQPAWQLLEQLSAVNSYAVLCQLRLACQLPVDSGQSAAEIINYRKKHLGKTLSLSYQQPLKMVRGQGAYLFNEQGVPYLDMVNNVCHVGHCHPKVVAAGQAQLAKLNTNTRYLHDNIVNYADKLLATMPDKLSVCMLVNSGSEANELAFRLARCFTKSRELLVVDGAYHGNTNACIEASPYKFDGPGGEGAPAYVHKVTLPDPYRGEFLGNNSDAATAYANSVKETIEQLALNNKKPGAFICESLQGVAGQIIMPDGYLTQVYAHVRAAGGVCIADEVQVGFGRVGSHMWAFETQNVIPDIVTLGKPIGNGHPMAAVITTQEIADAFVTGMEYFNTFGGNPVSCAIGIAVLDVIEQEQLQNHALTTGQYFQDQLNKLKQRFELIGDVRGKGLFIGVELVEDRTTKQPATDKTSWLIEHFKQHHILLSTEGPFYNILKIKPPLAFNSGDADKFINVLELGLAVLSH |
Consensus
[pKd Mean = 3.42] | - | 816
(s=148) | 25
(s=3) | MTTAKTPEFSNAQVIELLLQQYKLSGQLKKLPGYCDQNLLLNTDDGKQYIVKIANAVEPKLELEMQNAAMAHLTHKQCAVPCAVNNIQGDNISIITDVSKQSFCLRVLTFIPGKFYADANSNTHSRALWTDLGQFIGNIDLALADFQHPGAFRYLDWDLAQGYRVCMSKKHLLNPQQVNLVDKFLSLYQTQTMPVLSQLPQGVIHNDANDYNLLIDDINTPNKISGLIDFGDMVHSHIVNELAIACAYALMGEKSVHEDILSALTSIVAGYHKIRPLLDVELEVLYSLIALRLCTTVCNAALAIQQQPDNEYLLVSVQPAWQLLEQLSAVNSYAVLCQLRLACQLPVDSGQSAAEIINYRKKHLGKTLSLSYQQPLKMVRGQGAYLFNEQGVPYLDMVNNVCHVGHCHPKVVAAGQAQLAKLNTNTRYLHDNIVNYADKLLATMPDKLSVCMLVNSGSEANELAFRLARCFTKSRELLVVDGAYHGNTNACIEASPYKFDGPGGEGAPAYVHKVTLPDPYRGEFLGNNSDAATAYANSVKETIEQLALNNKKPGAFICESLQGVAGQIIMPDGYLTQVYAHVRAAGGVCIADEVQVGFGRVGSHMWAFETQNVIPDIVTLGKPIGNGHPMAAVITTQEIADAFVTGMEYFNTFGGNPVSCAIGIAVLDVIEQEQLQNHALTTGQYFQDQLNKLKQRFELIGDVRGKGLFIGVELVEDRTTKQPATDKTSWLIEHFKQHHILLSTEGPFYNILKIKPPLAFNSGDADKFINVLELGLAVLSH |