Structural basis for blockage of DNA synthesis by a thymine dimer lesion in a high-fidelity DNA polymerase
Walsh, A.R., Beese, L.S., Wu, E.Y.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 |
DNA polymerase I | A, B [auth D] | 580 | Geobacillus stearothermophilus | Mutation(s): 1  Gene Names: DPO1, polA EC: 2.7.7.7 | |
UniProt | |||||
Find proteins for D9N168 (Geobacillus stearothermophilus) Explore D9N168  Go to UniProtKB:  D9N168 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | D9N168 | ||||
Sequence AnnotationsExpand | |||||
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Entity ID: 2 | |||||
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Molecule | Chains | Length | Organism | Image | |
DNA (5'-D(*CP*GP*AP*TP*CP*AP*CP*GP*(2DT))-3') | C [auth B], E | 9 | synthetic construct | ||
Sequence AnnotationsExpand | |||||
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Entity ID: 3 | |||||
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Molecule | Chains | Length | Organism | Image | |
DNA (5'-D(*CP*GP*(3DR)P*AP*CP*GP*TP*GP*AP*TP*CP*G)-3') | D [auth C], F | 12 | synthetic construct | ||
Sequence AnnotationsExpand | |||||
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Ligands 3 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
DTP Query on DTP | I [auth A], J [auth D] | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE C10 H16 N5 O12 P3 SUYVUBYJARFZHO-RRKCRQDMSA-N | |||
MPD Query on MPD | L [auth D] | (4S)-2-METHYL-2,4-PENTANEDIOL C6 H14 O2 SVTBMSDMJJWYQN-YFKPBYRVSA-N | |||
SO4 Query on SO4 | K [auth D] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |
Entity ID: 4 | |||||
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ID | Chains | Name | Type/Class | 2D Diagram | 3D Interactions |
PRD_900003 Query on PRD_900003 | G, H | sucrose | Oligosaccharide / Nutrient |
Length ( Å ) | Angle ( ˚ ) |
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a = 93.875 | α = 90 |
b = 109.068 | β = 90 |
c = 150.096 | γ = 90 |
Software Name | Purpose |
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XDS | data reduction |
XSCALE | data scaling |
PHENIX | refinement |
PDB_EXTRACT | data extraction |
REFMAC | phasing |
Funding Organization | Location | Grant Number |
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National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | United States | RO1 GM091487 |