TOHO1 Beta lactamase mutant E166A/R274N/R276N -benzyl penicillin complex
Coates, L., Langan, P.S., Vandavasi, V.G., Weiss, K.L., Cooper, J.B., Ginell, S.L.To be published.
Experimental Data Snapshot
Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
Beta-lactamase Toho-1 | 256 | Escherichia coli | Mutation(s): 3  Gene Names: bla EC: 3.5.2.6 | ||
UniProt | |||||
Find proteins for Q47066 (Escherichia coli) Explore Q47066  Go to UniProtKB:  Q47066 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q47066 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 3 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
PNM Query on PNM | D [auth A] | OPEN FORM - PENICILLIN G C16 H20 N2 O4 S OGFZUTGOGYUTKZ-KWCYVHTRSA-N | |||
PNN Query on PNN | E [auth A], F [auth A] | PENICILLIN G C16 H18 N2 O4 S JGSARLDLIJGVTE-MBNYWOFBSA-N | |||
SO4 Query on SO4 | B [auth A], C [auth A], G [auth A], H [auth A], I [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 72.262 | α = 90 |
b = 72.262 | β = 90 |
c = 98.193 | γ = 120 |
Software Name | Purpose |
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SHELXL-97 | refinement |
XDS | data scaling |
SCALA | data scaling |
Coot | model building |
SHELX | phasing |
Funding Organization | Location | Grant Number |
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Department of Energy (DOE, United States) | United States | 32102548 |