Study : jhp_0170 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


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: LYS_B_4(4EX5) / Model_32(4EX5/B) = [3.1] Download18746.1422.74MFSNQYIQQRIHKANSLREEGKNPYKNGLKRSLTNAAFLEKYAYVKGLEEPKDKEKCESVVGRVKLLRLMGKACFIKIEDESAILQAYVSQNELNDEFKSLKKHLEVGDIVLVKGFPFATKTGELSIHALEFHILSKTIVPLPEKFHGLSDIELRYRQRYLDLIVNPGVKDVFKKRSLIVSSVRKFFEMEGFLEVETPMMHPIPGGANARPFITYHNALEIERYLRIAPELYLKRLIVGGFEAVFEINRNFRNEGMDHSHNPEFTMIEFYWAYHTYEDLIELSKRLFDYLLKTLNLDSKIIYNDMEVDFNQTSVISYLDALETIGGISKGILEKEDRLLAYLLEQGIKVEPNLTHGKLLAEAFDHFVEHKLINPTFVTEYPIEISPLARRNDSNPNIADRFELFIAGKEIANGFSELNDPLDQLERFKNQVAEKEKGDEEAQYMDEDYVWALAHEMPPTAGQGIGIDRLVMLLTGAKSIKDVILFPAMRPVKNDFNVEGEE
Complex: LYS_B_3(1E1O) / Model_4(1E1O/A) = [3.2] Download20949.1821.28MFSNQYIQQRIHKANSLREEGKNPYKNGLKRSLTNAAFLEKYAYVKGLEEPKDKEKCESVVGRVKLLRLMGKACFIKIEDESAILQAYVSQNELNDEFKSLKKHLEVGDIVLVKGFPFATKTGELSIHALEFHILSKTIVPLPEKFHGLSDIELRYRQRYLDLIVNPGVKDVFKKRSLIVSSVRKFFEMEGFLEVETPMMHPIPGGANARPFITYHNALEIERYLRIAPELYLKRLIVGGFEAVFEINRNFRNEGMDHSHNPEFTMIEFYWAYHTYEDLIELSKRLFDYLLKTLNLDSKIIYNDMEVDFNQTSVISYLDALETIGGISKGILEKEDRLLAYLLEQGIKVEPNLTHGKLLAEAFDHFVEHKLINPTFVTEYPIEISPLARRNDSNPNIADRFELFIAGKEIANGFSELNDPLDQLERFKNQVAEKEKGDEEAQYMDEDYVWALAHEMPPTAGQGIGIDRLVMLLTGAKSIKDVILFPAMRPVKNDFNVEGEE
Complex: LYS_B_3(1E1O) / Model_74(1E1O/A) = [3.2] Download17935.7522.18MFSNQYIQQRIHKANSLREEGKNPYKNGLKRSLTNAAFLEKYAYVKGLEEPKDKEKCESVVGRVKLLRLMGKACFIKIEDESAILQAYVSQNELNDEFKSLKKHLEVGDIVLVKGFPFATKTGELSIHALEFHILSKTIVPLPEKFHGLSDIELRYRQRYLDLIVNPGVKDVFKKRSLIVSSVRKFFEMEGFLEVETPMMHPIPGGANARPFITYHNALEIERYLRIAPELYLKRLIVGGFEAVFEINRNFRNEGMDHSHNPEFTMIEFYWAYHTYEDLIELSKRLFDYLLKTLNLDSKIIYNDMEVDFNQTSVISYLDALETIGGISKGILEKEDRLLAYLLEQGIKVEPNLTHGKLLAEAFDHFVEHKLINPTFVTEYPIEISPLARRNDSNPNIADRFELFIAGKEIANGFSELNDPLDQLERFKNQVAEKEKGDEEAQYMDEDYVWALAHEMPPTAGQGIGIDRLVMLLTGAKSIKDVILFPAMRPVKNDFNVEGEE
Complex: LYS_A_3(4EX5) / Model_11(4EX5/A) = [3.2] Download22554.9622.74MFSNQYIQQRIHKANSLREEGKNPYKNGLKRSLTNAAFLEKYAYVKGLEEPKDKEKCESVVGRVKLLRLMGKACFIKIEDESAILQAYVSQNELNDEFKSLKKHLEVGDIVLVKGFPFATKTGELSIHALEFHILSKTIVPLPEKFHGLSDIELRYRQRYLDLIVNPGVKDVFKKRSLIVSSVRKFFEMEGFLEVETPMMHPIPGGANARPFITYHNALEIERYLRIAPELYLKRLIVGGFEAVFEINRNFRNEGMDHSHNPEFTMIEFYWAYHTYEDLIELSKRLFDYLLKTLNLDSKIIYNDMEVDFNQTSVISYLDALETIGGISKGILEKEDRLLAYLLEQGIKVEPNLTHGKLLAEAFDHFVEHKLINPTFVTEYPIEISPLARRNDSNPNIADRFELFIAGKEIANGFSELNDPLDQLERFKNQVAEKEKGDEEAQYMDEDYVWALAHEMPPTAGQGIGIDRLVMLLTGAKSIKDVILFPAMRPVKNDFNVEGEE
Complex: KRS_A_4(4YCU) / Model_14(4YCU/A) = [5.7] Download626.84-10.23MFSNQYIQQRIHKANSLREEGKNPYKNGLKRSLTNAAFLEKYAYVKGLEEPKDKEKCESVVGRVKLLRLMGKACFIKIEDESAILQAYVSQNELNDEFKSLKKHLEVGDIVLVKGFPFATKTGELSIHALEFHILSKTIVPLPEKFHGLSDIELRYRQRYLDLIVNPGVKDVFKKRSLIVSSVRKFFEMEGFLEVETPMMHPIPGGANARPFITYHNALEIERYLRIAPELYLKRLIVGGFEAVFEINRNFRNEGMDHSHNPEFTMIEFYWAYHTYEDLIELSKRLFDYLLKTLNLDSKIIYNDMEVDFNQTSVISYLDALETIGGISKGILEKEDRLLAYLLEQGIKVEPNLTHGKLLAEAFDHFVEHKLINPTFVTEYPIEISPLARRNDSNPNIADRFELFIAGKEIANGFSELNDPLDQLERFKNQVAEKEKGDEEAQYMDEDYVWALAHEMPPTAGQGIGIDRLVMLLTGAKSIKDVILFPAMRPVKNDFNVEGEE
Consensus
[pKd Mean = 3.68]
-16162
(s=7936)
15
(s=13)
MFSNQYIQQRIHKANSLREEGKNPYKNGLKRSLTNAAFLEKYAYVKGLEEPKDKEKCESVVGRVKLLRLMGKACFIKIEDESAILQAYVSQNELNDEFKSLKKHLEVGDIVLVKGFPFATKTGELSIHALEFHILSKTIVPLPEKFHGLSDIELRYRQRYLDLIVNPGVKDVFKKRSLIVSSVRKFFEMEGFLEVETPMMHPIPGGANARPFITYHNALEIERYLRIAPELYLKRLIVGGFEAVFEINRNFRNEGMDHSHNPEFTMIEFYWAYHTYEDLIELSKRLFDYLLKTLNLDSKIIYNDMEVDFNQTSVISYLDALETIGGISKGILEKEDRLLAYLLEQGIKVEPNLTHGKLLAEAFDHFVEHKLINPTFVTEYPIEISPLARRNDSNPNIADRFELFIAGKEIANGFSELNDPLDQLERFKNQVAEKEKGDEEAQYMDEDYVWALAHEMPPTAGQGIGIDRLVMLLTGAKSIKDVILFPAMRPVKNDFNVEGEE