2025-05-31_00000342
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ligand
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9V14
crystal structure of the enzyme-product complex of L-azetidine-2-carboxylate hydrolase;
X-ray diffraction 0.93Å
Protein #1
240 residues (100% resolved)
Raw Sequence ...
MQLTDFKALTFDCYGTLIDWETGIVNALQPLAKRTGKTFTSDELLEVFGRNESPQQTETPGALYQDILRAVYDRIAKEWGLEPDAAEREEFGTSVKNWPAFPDTVEALQYLKKHYKLVILSNIDRNEFKLSNAKLGVEFDHIITAQDVGSYKPNPNNFTYMIDALAKAGIEKKDILHTAESLYHDHIPANDAGLVSAWIYRRHGKEGYGATHVPSRMPNVDFRFNSMGEMAEAHKQALKG
Canonical Sequence ...
MQLTDFKALTFDCYGTLIDWETGIVNALQPLAKRTGKTFTSDELLEVFGRNESPQQTETPGALYQDILRAVYDRIAKEWGLEPDAAEREEFGTSVKNWPAFPDTVEALQYLKKHYKLVILSNIDRNEFKLSNAKLGVEFDHIITAQDVGSYKPNPNNFTYMIDALAKAGIEKKDILHTAESLYHDHIPANDAGLVSAWIYRRHGKEGYGATHVPSRMPNVDFRFNSMGEMAEAHKQALKG
Non polymer #2
42B
InChI=1S/C4H9NO3/c5-2-1-3(6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1
InChI=1S/C4H9NO3/c5-2-1-3(6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m1/s1
SMILES: C(CN)[C@H](C(=O)O)O
C(CN)[C@H](C(=O)O)O
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Non polymer #4
FMT
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
SMILES: C(=O)O
C(=O)O
Non polymer #5
IMD
InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1
InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1
SMILES: c1c[nH+]c[nH]1
c1c[nH+]c[nH]1
Non polymer #6
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Non polymer #7
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Biounit #1
monomer
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Model
Reference
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