STRUCTURAL BIOLOGY & CHEMICAL EVIDENCEDataset v1.2 · Phase 6D · Comparative experimental recognition environments

Experimental structure

3LLR

Crystal structure of the PWWP domain of Human DNA (cytosine-5-)-methyltransferase 3 alpha

APO PWWP coordinates observed X-RAY DIFFRACTION

Original coordinates

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PDB deposition
3LLR Deposited model
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Original coordinates are available from a locally verified historical archive or the bundled source and load on request.

Coordinate coverage

Mapped chains

5 chain / domain rows

Label and author chain identifiers are kept separately. Observed Cα counts refer to each mapped annotation core.

ProteinLabel chainAuthor chainDomainObserved Cα / coreObserved substitutions
DNMT3AA["A"]UP:Q9Y6K1:PWWP159 / 590
DNMT3AB["B"]UP:Q9Y6K1:PWWP159 / 590
DNMT3AC["C"]UP:Q9Y6K1:PWWP159 / 590
DNMT3AD["D"]UP:Q9Y6K1:PWWP159 / 590
DNMT3AE["E"]UP:Q9Y6K1:PWWP159 / 590

Chemical identity

Chemical components and interpretation

3 component records
CCDNameRoleFull InChIKey
BTB2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOLbuffer/additive
incidental
OWMVSZAMULFTJU-UHFFFAOYSA-N
SO4SULFATE IONion/additive
incidental
QAOWNCQODCNURD-UHFFFAOYSA-L
HOHWATERsolvent
incidental
XLYOFNOQVPJJNP-UHFFFAOYSA-N

Geometry, with defined scope

Independent contact evidence

Inspect 7 retained contact records
CCD / instanceProtein chainContact classMinimum core / broader domain distance Å
BTB · FDNMT3A · Anative annotation core contact2.68 / 2.68
BTB · GDNMT3A · Bnative annotation core contact2.56 / 2.56
BTB · IDNMT3A · Cnative annotation core contact2.41 / 2.41
BTB · JDNMT3A · Dnative annotation core contact2.62 / 2.62
BTB · IDNMT3A · Eisolated construct contact outside annotations9.65 / 9.65
BTB · KDNMT3A · Enative annotation core contact2.64 / 2.64
SO4 · HDNMT3A · Bnative annotation core contact3.1 / 3.1

Biological partners

No curated macromolecular partner record.

Source interpretation

Focused scientific audit

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retain with stated interpretation/caveats. APO is justified under the declared functional-ligand definition: nearby BTB and sulfate are buffer/additive species. APO does not mean absence of all heteroatoms.