2024-01-06_00000072
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ligand
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8FMC
Crystal Structure of Kemp Eliminase 1A53-core in unbound state;
X-ray diffraction 2.36Å
Protein #1
260 residues (95% resolved)
Raw Sequence ...
PRYLKGWLKDVVQLSLRRPSFRASRQRPIISLNERILEFNKRNITAIIAAYRRKSPSGLDVERDPIEYSKFMERYAVGLAVATEEKYFNGSYETLRKIASSVSIPILMWDFIVKESQIDDAYNLGADTVALIVKILTERELESLLEYARSYGMEPYIVINDENDLDIALRIGARFIEICSRDLETLEINKENQRKLISMIPSNVVKVAWGGISERNEIEELRKLGVNAFGIGSSLLRNPEKIKEFILGSIEGRGHHHHHH
Canonical Sequence ...
PRYLKGWLKDVVQLSLRRPSFRASRQRPIISLNERILEFNKRNITAIIAAYRRKSPSGLDVERDPIEYSKFMERYAVGLAVATEEKYFNGSYETLRKIASSVSIPILMWDFIVKESQIDDAYNLGADTVALIVKILTERELESLLEYARSYGMEPYIVINDENDLDIALRIGARFIEICSRDLETLEINKENQRKLISMIPSNVVKVAWGGISERNEIEELRKLGVNAFGIGSSLLRNPEKIKEFILGSIEGRGHHHHHH
Non polymer #2
MES
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
SMILES: C1COCC[NH+]1CCS(=O)(=O)[O-]
C1COCC[NH+]1CCS(=O)(=O)[O-]
Non polymer #3
PO4
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
SMILES: [O-]P(=O)([O-])[O-]
[O-]P(=O)([O-])[O-]
Biounit #1
monomer
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Model
Reference
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