2026-09-26_00000231
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ligand
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9SPL
D-stereospecific hydrolase I from Bacillus thuringiensis Berliner 1915;
X-ray diffraction 1.46Å
Protein #1
346 residues (97% resolved)
Raw Sequence ...
SSLQTSTQSDRTSVKKAIRDELQLGYPGILAQISKGGKTWSYTAGIADLRTKKPMKADFRFRIGSVTKTFIATVLLQLSGENRLNLDDSIEKWLPGVIQGNGYDGNQITIRQILNHTSGIADYINSKDFDIMDTKKSYTAEEFVKMGISLPPDFAPGKGWSYSNTGYVLLGILIEKVTGNSYAEEVENRIIEPLDLSNTFLPGNSSVIPGTKHARGYLQLDGASELKDVTYINPGSSDGDMISTADDLNKFFSYLLGGKLLKEQQLKQMLTTVPTNREGTGYGLGILEIKLPNGVSVWGHRGGVLGFSTFAGGTLGGKHTLAINSNSFNINNPESFKNVLIAEFSK
Canonical Sequence ...
SSLQTSTQSDRTSVKKAIRDELQLGYPGILAQISKGGKTWSYTAGIADLRTKKPMKADFRFRIGSVTKTFIATVLLQLSGENRLNLDDSIEKWLPGVIQGNGYDGNQITIRQILNHTSGIADYINSKDFDIMDTKKSYTAEEFVKMGISLPPDFAPGKGWSYSNTGYVLLGILIEKVTGNSYAEEVENRIIEPLDLSNTFLPGNSSVIPGTKHARGYLQLDGASELKDVTYINPGSSDGDMISTADDLNKFFSYLLGGKLLKEQQLKQMLTTVPTNREGTGYGLGILEIKLPNGVSVWGHRGGVLGFSTFAGGTLGGKHTLAINSNSFNINNPESFKNVLIAEFSK
Non polymer #2
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 #3
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Non polymer #4
MPD
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
InChI=1S/C6H14O2/c1-5(7)4-6(2,3)8/h5,7-8H,4H2,1-3H3/t5-/m0/s1
SMILES: C[C@@H](CC(C)(C)O)O
C[C@@H](CC(C)(C)O)O
Non polymer #5
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
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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