Notum Inhibitor TDZD8
Zhao, Y., Jones, 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 |
Palmitoleoyl-protein carboxylesterase NOTUM | 383 | Homo sapiens | Mutation(s): 1  Gene Names: NOTUM, OK/SW-CL.30 EC: 3.1.1.98 | ||
UniProt & NIH Common Fund Data Resources | |||||
Find proteins for Q6P988 (Homo sapiens) Explore Q6P988  Go to UniProtKB:  Q6P988 | |||||
PHAROS:  Q6P988 GTEx:  ENSG00000185269  | |||||
Entity Groups   | |||||
Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
UniProt Group | Q6P988 | ||||
Glycosylation | |||||
Glycosylation Sites: 1 | Go to GlyGen: Q6P988-1 | ||||
Sequence AnnotationsExpand | |||||
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Ligands 5 Unique | |||||
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ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
U3W (Subject of Investigation/LOI) Query on U3W | R [auth A] | 2-methyl-4-(phenylmethyl)-1,2,4-thiadiazolidine-3,5-dione C10 H10 N2 O2 S JDSJDASOXWCHPN-UHFFFAOYSA-N | |||
NAG Query on NAG | Q [auth A] | 2-acetamido-2-deoxy-beta-D-glucopyranose C8 H15 N O6 OVRNDRQMDRJTHS-FMDGEEDCSA-N | |||
SO4 Query on SO4 | B [auth A] C [auth A] D [auth A] E [auth A] F [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L | |||
GOL Query on GOL | M [auth A], N [auth A], O [auth A], P [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N | |||
DMS Query on DMS | S [auth A] | DIMETHYL SULFOXIDE C2 H6 O S IAZDPXIOMUYVGZ-UHFFFAOYSA-N |
Length ( Å ) | Angle ( ˚ ) |
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a = 60.5 | α = 90 |
b = 73.17 | β = 90 |
c = 79.38 | γ = 90 |
Software Name | Purpose |
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PHENIX | refinement |
PDB_EXTRACT | data extraction |
xia2 | data reduction |
xia2 | data scaling |
MOLREP | phasing |
Funding Organization | Location | Grant Number |
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Cancer Research UK | United Kingdom | C375/A17721 |