2024-01-06_00000077
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ligand
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8FOQ
Crystal Structure of Kemp Eliminase 1A53-core with bound transition state analogue;
X-ray diffraction 1.60Å
Protein #1
260 residues (95% resolved)
Raw Sequence ...
PRYLKGWLKDVVQLSLRRPSFRASRQRPIISLNERILEFNKRNITAIIAAYRRKSPSGLDVERDPIEYSKFMERYAVGLAVATEEKYFNGSYETLRKIASSVSIPILMWDFIVKESQIDDAYNLGADTVALIVKILTERELESLLEYARSYGMEPYIVINDENDLDIALRIGARFIEICSRDLETLEINKENQRKLISMIPSNVVKVAWGGISERNEIEELRKLGVNAFGIGSSLLRNPEKIKEFILGSIEGRGHHHHHH
Canonical Sequence ...
PRYLKGWLKDVVQLSLRRPSFRASRQRPIISLNERILEFNKRNITAIIAAYRRKSPSGLDVERDPIEYSKFMERYAVGLAVATEEKYFNGSYETLRKIASSVSIPILMWDFIVKESQIDDAYNLGADTVALIVKILTERELESLLEYARSYGMEPYIVINDENDLDIALRIGARFIEICSRDLETLEINKENQRKLISMIPSNVVKVAWGGISERNEIEELRKLGVNAFGIGSSLLRNPEKIKEFILGSIEGRGHHHHHH
Non polymer #2
3NY
InChI=1S/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9)
InChI=1S/C6H4N4O2/c11-10(12)4-1-2-5-6(3-4)8-9-7-5/h1-3H,(H,7,8,9)
SMILES: c1cc2c(cc1[N+](=O)[O-])nn[nH]2
c1cc2c(cc1[N+](=O)[O-])nn[nH]2
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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