2024-06-01_00000028
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ligand
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8JK3
Crystal Structure of Bel-1 Extended Spectrum Beta-lactamase in Hexagonal Form;
X-ray diffraction 1.50Å
Protein #1
267 residues (100% resolved)
Raw Sequence ...
QADFEHAISDLEAHNQAKIGVALVSENGNLIQGYRANERFAMCSTFKLPLAALVLSRIDAGEENPERKLHYDSAFLEEYAPAAKRYVATGYMTVTEAIQSALQLSDNAAANLLLKEVGGPPLLTKYFRSLGDKVSRLDRIEPTLNTNTPGDERDTTTPMSMAQTVSKLIFGDTLTYKSKGQLRRLLIGNQTGDKTIRAGLPDSWVTGDKTGSCANGGRNDVAFFITTAGKKYVLSVYTNAPELQGEERALLIASVAKLARQYVVHAH
Canonical Sequence ...
QADFEHAISDLEAHNQAKIGVALVSENGNLIQGYRANERFAMCSTFKLPLAALVLSRIDAGEENPERKLHYDSAFLEEYAPAAKRYVATGYMTVTEAIQSALQLSDNAAANLLLKEVGGPPLLTKYFRSLGDKVSRLDRIEPTLNTNTPGDERDTTTPMSMAQTVSKLIFGDTLTYKSKGQLRRLLIGNQTGDKTIRAGLPDSWVTGDKTGSCANGGRNDVAFFITTAGKKYVLSVYTNAPELQGEERALLIASVAKLARQYVVHAH
Non polymer #2
ACT
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
SMILES: CC(=O)[O-]
CC(=O)[O-]
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #4
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 #5
IPA
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
SMILES: CC(C)O
CC(C)O
Non polymer #6
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Non polymer #7
PGE
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2
SMILES: C(COCCOCCO)O
C(COCCOCCO)O
Biounit #1
homo-dimer
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Model
Reference
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