2025-03-01_00000050
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ligand
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8S0V
Crystal structure of Cryptosporidium parvum - Trypanosoma cruzi mutant lysyl tRNA synthetase in complex with inhibitor;
X-ray diffraction 1.60Å
Protein #1
536 residues (93% resolved)
Raw Sequence ...
MGSSHHHHHHSSGENLYFQGHMHYTDNRYKMMECIKDAGRPFYPHKFKISMSLPAYALKYGNVENGYIDKDTTLSLSGRVTSIRSSSSKLIFYDIFCEEQKVQIIANIMEHDISTGEFSVSHSEIRRGDVVGFTGFPGKSKRGELSLFSKSVVLLSPCYHMLPTAISGLKDQEVRYRQRYLDLMLNEESRKVFKLRSRAIKYIRNYFDRLGFLEVETPMLNMIYGGAAARPFITYHNELETQLYMRIAPELYLKQLIVGGLDKVYELGKNFRNEGIDLTHNPEFTSVEFYMAYADYYDLMDLTEELISGLVLEIHGSLKIPYHPDGPEGKCIEIDFTTPWKRFSFVEEIESGLGEKLKRPLDSQENIDFMVEMCEKHEIELPHPRTAAKLLDKLAGHFVETKCTNPSFIIDHPQTMSPLAKWHREKPEMTERFELFVLGKELCNAYTELNEPLQQRKFFEQQADAKASGDVEACPIDETFCLALEHGLPPTGGWGLGIDRLIMFLADKNNIKEVLLFPAMRNVKQNAQHSNQHSGN
Canonical Sequence ...
MGSSHHHHHHSSGENLYFQGHMHYTDNRYKMMECIKDAGRPFYPHKFKISMSLPAYALKYGNVENGYIDKDTTLSLSGRVTSIRSSSSKLIFYDIFCEEQKVQIIANIMEHDISTGEFSVSHSEIRRGDVVGFTGFPGKSKRGELSLFSKSVVLLSPCYHMLPTAISGLKDQEVRYRQRYLDLMLNEESRKVFKLRSRAIKYIRNYFDRLGFLEVETPMLNMIYGGAAARPFITYHNELETQLYMRIAPELYLKQLIVGGLDKVYELGKNFRNEGIDLTHNPEFTSVEFYMAYADYYDLMDLTEELISGLVLEIHGSLKIPYHPDGPEGKCIEIDFTTPWKRFSFVEEIESGLGEKLKRPLDSQENIDFMVEMCEKHEIELPHPRTAAKLLDKLAGHFVETKCTNPSFIIDHPQTMSPLAKWHREKPEMTERFELFVLGKELCNAYTELNEPLQQRKFFEQQADAKASGDVEACPIDETFCLALEHGLPPTGGWGLGIDRLIMFLADKNNIKEVLLFPAMRNVKQNAQHSNQHSGN
Non polymer #2
A1H4X
InChI=1S/C14H15F3N4/c1-6-19-12-8(14(18)20-6)9(15)10(16)13(11(12)17)21-7-4-2-3-5-7/h7,21H,2-5H2,1H3,(H2,18,19,20)
InChI=1S/C14H15F3N4/c1-6-19-12-8(14(18)20-6)9(15)10(16)13(11(12)17)21-7-4-2-3-5-7/h7,21H,2-5H2,1H3,(H2,18,19,20)
SMILES: Cc1nc2c(c(c(c(c2F)NC3CCCC3)F)F)c(n1)N
Cc1nc2c(c(c(c(c2F)NC3CCCC3)F)F)c(n1)N
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
Download coordinates
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Model
Reference
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