2026-06-20_00000089
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ligand
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9EIM
Crystal structure of PDC-3 beta-lactamase complexed with boronic acid inhibitor Z2242032529;
X-ray diffraction 1.98Å
Protein #1
397 residues (92% resolved)
Raw Sequence ...
MRDTRFPCLCGIAASTLLFATTPAIAGEAPADRLKALVDAAVQPVMKANDIPGLAVAISLKGEPHYFSYGLASKEDGRRVTPETLFEIGSVSKTFTATLAGYALAQDKMRLDDRASQHWPALQGSRFDGISLLDLATYTAGGLPLQFPDSVQKDQAQIRDYYRQWQPTYAPGSQRLYSNPSIGLFGYLAARSLGQPFERLMEQQVFPALGLEQTHLDVPEAALAQYAQGYGKDDRPLRVGPGPLDAEGYGVKTSAADLLRFVDANLHPERLDRPWAQALDATHRGYYKVGDMTQGLGWEAYDWPISLKRLQAGNSTPMALQPHRIARLPAPQALEGQRLLNKTGSTNGFGAYVAFVPGRDLGLVILANRNYPNAERVKIAYAILSGLEQQGKVPLKR
Canonical Sequence ...
MRDTRFPCLCGIAASTLLFATTPAIAGEAPADRLKALVDAAVQPVMKANDIPGLAVAISLKGEPHYFSYGLASKEDGRRVTPETLFEIGSVSKTFTATLAGYALAQDKMRLDDRASQHWPALQGSRFDGISLLDLATYTAGGLPLQFPDSVQKDQAQIRDYYRQWQPTYAPGSQRLYSNPSIGLFGYLAARSLGQPFERLMEQQVFPALGLEQTHLDVPEAALAQYAQGYGKDDRPLRVGPGPLDAEGYGVKTSAADLLRFVDANLHPERLDRPWAQALDATHRGYYKVGDMTQGLGWEAYDWPISLKRLQAGNSTPMALQPHRIARLPAPQALEGQRLLNKTGSTNGFGAYVAFVPGRDLGLVILANRNYPNAERVKIAYAILSGLEQQGKVPLKR
Non polymer #2
A1BI9
InChI=1S/C14H14BClNO4/c1-17(11-5-3-2-4-6-11)14(18)10-7-8-12(13(16)9-10)15(19,20)21/h2-9,19-21H,1H3/q-1
InChI=1S/C14H14BClNO4/c1-17(11-5-3-2-4-6-11)14(18)10-7-8-12(13(16)9-10)15(19,20)21/h2-9,19-21H,1H3/q-1
SMILES: [B-](c1ccc(cc1Cl)C(=O)N(C)c2ccccc2)(O)(O)O
[B-](c1ccc(cc1Cl)C(=O)N(C)c2ccccc2)(O)(O)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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