Crystal structure of dihydropteroate synthase H182G mutant (folP-SMZ_B27) from soil uncultured bacterium in complex with pteroic acid
Stogios, P.J.To be published.
Experimental Data Snapshot
Starting Model: experimental
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Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
folP-SMZ_B27 | 272 | uncultured bacterium | Mutation(s): 0 | ||
Entity Groups | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
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Ligands 2 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
PT1 (Subject of Investigation/LOI) Query on PT1 | C [auth A], E [auth B] | PTEROIC ACID C14 H12 N6 O3 JOAQINSXLLMRCV-UHFFFAOYSA-N | |||
POP (Subject of Investigation/LOI) Query on POP | D [auth B] | PYROPHOSPHATE 2- H2 O7 P2 XPPKVPWEQAFLFU-UHFFFAOYSA-L |
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 87.167 | α = 90 |
b = 145.614 | β = 90 |
c = 36.801 | γ = 90 |
Software Name | Purpose |
---|---|
PHENIX | refinement |
HKL-3000 | data reduction |
HKL-3000 | data scaling |
PHENIX | phasing |
PHENIX | model building |
Coot | model building |
Funding Organization | Location | Grant Number |
---|---|---|
National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID) | United States | HHSN272201700060C |