2026-06-06_00000130
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ligand
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9R3G
CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Cryptosporidium parvum / Plasmodium falciparum chimera COMPLEXED WITH L-LYSINE AND INHIBITOR DDD02174286;
X-ray diffraction 1.90Å
Protein #1
535 residues (94% resolved)
Raw Sequence ...
MAHHHHHHMGTLEAQTQGPGSHYTDNRYKMMECIKDAGRPFYPHKFKISMSLPAYALKYGNVENGYIDKDTTLSLSGRVTSIRSSSSKLIFYDIFCEEQKVQIIANIMEHDISTGEFSVSHSEIRRGDVVGFTGFPGKSKRGELSLFSKSVVLLSPCYHMLPTAISGLKDQEVRYRQRYLDLMLNEESRKVFKLRSRAIKYIRNYFDRLGFLEVETPMLNMIYGGAAARPFITYHNELETQLYMRIATELYLKQLIVGGLDKVYEIGKVFRNEGIDLTHNPEFTSMEFYMAYADYYDLMDLTEELISGLVLEIHGSLKIPYHPDGPEGKCIEIDFTTPWKRFSFVEEIESGLGEKLKRPLDSQENIDFMVEMCEKHEIELPHPRTAAKLLDKLAGHFVETKCTNPSFIIDHPQTMSPLAKWHREKPEMTERFELFVLGKELCNAYTELNEPLQQRKFFEQQADAKASGDVEACPIDETFCLALEHGLPPTGGWGLGIDRLIMFLADKNNIKEVILFPAMRNVKQNAQHSNQHSGN
Canonical Sequence ...
MAHHHHHHMGTLEAQTQGPGSHYTDNRYKMMECIKDAGRPFYPHKFKISMSLPAYALKYGNVENGYIDKDTTLSLSGRVTSIRSSSSKLIFYDIFCEEQKVQIIANIMEHDISTGEFSVSHSEIRRGDVVGFTGFPGKSKRGELSLFSKSVVLLSPCYHMLPTAISGLKDQEVRYRQRYLDLMLNEESRKVFKLRSRAIKYIRNYFDRLGFLEVETPMLNMIYGGAAARPFITYHNELETQLYMRIATELYLKQLIVGGLDKVYEIGKVFRNEGIDLTHNPEFTSMEFYMAYADYYDLMDLTEELISGLVLEIHGSLKIPYHPDGPEGKCIEIDFTTPWKRFSFVEEIESGLGEKLKRPLDSQENIDFMVEMCEKHEIELPHPRTAAKLLDKLAGHFVETKCTNPSFIIDHPQTMSPLAKWHREKPEMTERFELFVLGKELCNAYTELNEPLQQRKFFEQQADAKASGDVEACPIDETFCLALEHGLPPTGGWGLGIDRLIMFLADKNNIKEVILFPAMRNVKQNAQHSNQHSGN
Non polymer #2
A1JC4
InChI=1S/C24H32F6N6O/c25-23(26,27)15-2-1-3-21(12-15,5-9-35-10-6-22(7-11-35)4-8-32-22)14-36-13-16-17(19(36)37)18(24(28,29)30)34-20(31)33-16/h15,32H,1-14H2,(H2,31,33,34)/t15-,21-/m0/s1
InChI=1S/C24H32F6N6O/c25-23(26,27)15-2-1-3-21(12-15,5-9-35-10-6-22(7-11-35)4-8-32-22)14-36-13-16-17(19(36)37)18(24(28,29)30)34-20(31)33-16/h15,32H,1-14H2,(H2,31,33,34)/t15-,21-/m0/s1
SMILES: C1C[C@@H](C[C@](C1)(CCN2CCC3(CCN3)CC2)CN4Cc5c(c(nc(n5)N)C(F)(F)F)C4=O)C(F)(F)F
C1C[C@@H](C[C@](C1)(CCN2CCC3(CCN3)CC2)CN4Cc5c(c(nc(n5)N)C(F)(F)F)C4=O)C(F)(F)F
Non polymer #3
LYS
InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1
InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1
SMILES: C(CC[NH3+])C[C@@H](C(=O)O)N
C(CC[NH3+])C[C@@H](C(=O)O)N
Non polymer #4
TRS
InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1
InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1
SMILES: C(C(CO)(CO)[NH3+])O
C(C(CO)(CO)[NH3+])O
Biounit #1
homo-dimer
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Model
Reference
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