Crystal structure of Mycobacterium tuberculosis dethiobiotin synthetase in complex with an intentionally produced fragment degradation product B9D
Thompson, A.P., Polyak, S.W., Wegener, K.L., Bruning, J.B.To be published.
Experimental Data Snapshot
Entity ID: 1 | |||||
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Molecule | Chains | Sequence Length | Organism | Details | Image |
ATP-dependent dethiobiotin synthetase BioD | 233 | Mycobacterium tuberculosis H37Rv | Mutation(s): 0  Gene Names: bioD, Rv1570, MTCY336.33c EC: 6.3.3.3 | ||
UniProt | |||||
Find proteins for P9WPQ5 (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) Explore P9WPQ5  Go to UniProtKB:  P9WPQ5 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P9WPQ5 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 3 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
KSP (Subject of Investigation/LOI) Query on KSP | F [auth A], J [auth B], P [auth C], T [auth D] | [(1R,2S)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid C14 H16 O4 LULBZYDRYZGRST-ZJUUUORDSA-N | |||
KSJ (Subject of Investigation/LOI) Query on KSJ | E [auth A], I [auth B], O [auth C], S [auth D] | [(1S,2R)-2-(2-hydroxybenzene-1-carbonyl)cyclopentyl]acetic acid C14 H16 O4 LULBZYDRYZGRST-VHSXEESVSA-N | |||
SO4 Query on SO4 | G [auth A] H [auth A] K [auth B] L [auth B] M [auth C] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 56.07 | α = 90 |
b = 106.17 | β = 90 |
c = 152.78 | γ = 90 |
Software Name | Purpose |
---|---|
Aimless | data scaling |
PHASER | phasing |
PHENIX | refinement |
PDB_EXTRACT | data extraction |
Funding Organization | Location | Grant Number |
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National Health and Medical Research Council (NHMRC, Australia) | Australia | APP1068885 |