Drug target analysis by dye-ligand affinity chromatography
Kim, H.-B., Hung, L.-W., Goulding, C.W., Terwilliger, T.C., Kim, C.-Y.To be published.
Experimental Data Snapshot
Starting Model: experimental
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Entity ID: 1 | |||||
---|---|---|---|---|---|
Molecule | Chains | Sequence Length | Organism | Details | Image |
Alanine dehydrogenase | 371 | Mycobacterium tuberculosis H37Rv | Mutation(s): 0  Gene Names: ald, RVBD_2780 EC: 1.4.1.1 | ||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
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Ligands 3 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
6MD Query on 6MD | B [auth A] | N-methyladenosine C11 H15 N5 O4 VQAYFKKCNSOZKM-IOSLPCCCSA-N | |||
SO4 Query on SO4 | G [auth A], H [auth A], I [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L | |||
GOL Query on GOL | C [auth A], D [auth A], E [auth A], F [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 89.73 | α = 90 |
b = 89.73 | β = 90 |
c = 290.401 | γ = 120 |
Software Name | Purpose |
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ADSC | data collection |
SOLVE | phasing |
PHENIX | refinement |
HKL-2000 | data reduction |
HKL-2000 | data scaling |