E.Coli thymidylate synthase complexed with 5-NITRO-2'-DEOXY URIDINE
Arendall, W.B., Hyatt, D.C., Roberts, S.A., Dahlgran, A.L., Maley, F., Montfort, W.R.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 |
Thymidylate synthase | 264 | Escherichia coli | Mutation(s): 1  Gene Names: thyA EC: 2.1.1.45 | ||
UniProt | |||||
Find proteins for P0A884 (Escherichia coli (strain K12)) Explore P0A884  Go to UniProtKB:  P0A884 | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | P0A884 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 2 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
NDU Query on NDU | C [auth A] | 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE C9 H14 N3 O10 P ZYBJIJYGXJSDTC-XZBKPIIZSA-N | |||
SO4 Query on SO4 | B [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |
Modified Residues 1 Unique | |||||
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ID | Chains | Type | Formula | 2D Diagram | Parent |
CXM Query on CXM | A | L-PEPTIDE LINKING | C6 H11 N O4 S | MET |
Length ( Å ) | Angle ( ˚ ) |
---|---|
a = 133.02 | α = 90 |
b = 133.02 | β = 90 |
c = 133.02 | γ = 90 |
Software Name | Purpose |
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REFMAC | refinement |
MADNESS | data collection |
PROCOR | data reduction |
PROCOR | data scaling |