2025-10-11_00000161
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ligand
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9OOZ
Crystal structure of PqqT Y161W Variant with PQQ bound;
X-ray diffraction 1.98Å
Protein #1
310 residues (96% resolved)
Raw Sequence ...
AGETFRLGVLPFGTASWEAAVIKARGFDTANGFTLDIVKLAGNDAARIAFLGGQVDAIVGDLIFAARLGNEGRGVRFSPYSTTEGALMVPAGSPITDLKGLAGKRLGVAGGALDKNWILLRAQARETAGLELENVAQIAYGAPPLLAQKLETGELDAALLWWQFAARLEAKGFKRLISADDVMRAFGAKGAVSLIGYLYEGHTVADRGEVVRGFARASAAAKDALANEPALWETVRPLMAAEDDATFATLKRDFLAGIPRRPIAAERADGERIYAALDRLAGAQLLGVGKSLPPDLYLDASGNGHHHHHH
Canonical Sequence ...
AGETFRLGVLPFGTASWEAAVIKARGFDTANGFTLDIVKLAGNDAARIAFLGGQVDAIVGDLIFAARLGNEGRGVRFSPYSTTEGALMVPAGSPITDLKGLAGKRLGVAGGALDKNWILLRAQARETAGLELENVAQIAYGAPPLLAQKLETGELDAALLWWQFAARLEAKGFKRLISADDVMRAFGAKGAVSLIGYLYEGHTVADRGEVVRGFARASAAAKDALANEPALWETVRPLMAAEDDATFATLKRDFLAGIPRRPIAAERADGERIYAALDRLAGAQLLGVGKSLPPDLYLDASGNGHHHHHH
Non polymer #2
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #3
PQQ
InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)
InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)
SMILES: c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O
c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O
Biounit #1
monomer
Download coordinates
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Model
Reference
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