2026-03-28_00000055
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ligand
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9NIZ
FphI, Staphylococcus aureus fluorophosphonate-binding serine hydrolases I, in complex with Carbamoyl Fluoride compound 18;
X-ray diffraction 1.40Å
Protein #1
247 residues (87% resolved)
Raw Sequence ...
GPGMRIKTPSPSYLKGTNGHAILLLHSFTGTNRDVKHLAAELNDQGFSCYAPNYPGHGLLLKDFMTYNVDDWWEEVEKAYQFLVNEGYESISATGVSLGGLMTLKLAQHYPLKRIAVMSAPKEKSDDGLIEHLVYYSQRMSNILNLDQQASSAQLAAIDDYEGEITKFQHFIDDIMTNLNVIKMPANILFGGKDAPSYETSAHFIYEHLGSVDKELNGLKDSHHLMTHGEGRDILEENVIRFFNALT
Canonical Sequence ...
GPGMRIKTPSPSYLKGTNGHAILLLHSFTGTNRDVKHLAAELNDQGFSCYAPNYPGHGLLLKDFMTYNVDDWWEEVEKAYQFLVNEGYESISATGVSLGGLMTLKLAQHYPLKRIAVMSAPKEKSDDGLIEHLVYYSQRMSNILNLDQQASSAQLAAIDDYEGEITKFQHFIDDIMTNLNVIKMPANILFGGKDAPSYETSAHFIYEHLGSVDKELNGLKDSHHLMTHGEGRDILEENVIRFFNALT
Non polymer #2
A1BYJ
InChI=1S/C9H9NO/c11-7-10-5-8-3-1-2-4-9(8)6-10/h1-4,7H,5-6H2
InChI=1S/C9H9NO/c11-7-10-5-8-3-1-2-4-9(8)6-10/h1-4,7H,5-6H2
SMILES: c1ccc2c(c1)CN(C2)C=O
c1ccc2c(c1)CN(C2)C=O
Non polymer #3
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Biounit #1
monomer
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Model
Reference
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