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

Phase 6C.1 · Original deposited experimental coordinates

Comprehensive structure quality

Residue and heavy-atom completeness calculated directly from 230 source PDBx/mmCIF files, each verified against its frozen historical checksum. Each mapped PWWP chain/domain, NMR model and qualified source-supported ligand environment is tracked individually.

230Historically verified coordinate files
496Chain/domains with an observed PWWP core
283Source-supported ligand environments calculated
170Mapped chain/domains lacking observed core coordinates

Experimental-coordinate case studies

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9FOC · NSD2 PWWP1

Newly assessed ligand-bearing structure

Protein and bound ligand coordinates are deposited, but the literature's assayed compound 11 preparation remains stereochemically unresolved. Structural components do not fix that ambiguity.

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2M16 · PSIP1 PWWP

Deposited NMR ensemble

All model-specific atom observations are retained. Ensemble variation is not represented by a single first-model structure alone.

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11OA · DNMT3A PWWP1

Independently confirmed side-chain gaps

Five observed-core chains each lack 198 standard side-chain heavy atoms; 13 other mapped chains contain no observed core coordinates.

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All 666 original chain/domain mappings

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51 matching chain/domain records. Filters must be satisfied by the same experimental chain/domain. Model-specific assessment is available within each detail record.

PDB · chainTarget/domainCore observedExperimentMissing side-chain atomsBackbone gapsResearch ligand environmentsAssessment
29HG · BNSD2 PWWP165 / 65ELECTRON MICROSCOPY · 4.0 Å1901atomic completeness calculated
29HH · BNSD2 PWWP165 / 65ELECTRON MICROSCOPY · 4.2 Å1901atomic completeness calculated
29HI · BNSD2 PWWP165 / 65ELECTRON MICROSCOPY · 5.9 Å1901atomic completeness calculated
5VC8 · ANSD2 PWWP160 / 65X-RAY DIFFRACTION · 1.8 Å1000atomic completeness calculated with chemistry limitations
5VC8 · BNSD2 PWWP165 / 65X-RAY DIFFRACTION · 1.8 Å1700atomic completeness calculated with chemistry limitations
6UE6 · ANSD2 PWWP162 / 65X-RAY DIFFRACTION · 2.4 Å1902atomic completeness calculated
6UE6 · BNSD2 PWWP165 / 65X-RAY DIFFRACTION · 2.4 Å2502atomic completeness calculated
6UE6 · CNSD2 PWWP162 / 65X-RAY DIFFRACTION · 2.4 Å1222atomic completeness calculated
6UE6 · DNSD2 PWWP161 / 65X-RAY DIFFRACTION · 2.4 Å1932atomic completeness calculated
6UE6 · ENSD2 PWWP163 / 65X-RAY DIFFRACTION · 2.4 Å2922atomic completeness calculated
6UE6 · FNSD2 PWWP160 / 65X-RAY DIFFRACTION · 2.4 Å1402atomic completeness calculated
6UE6 · GNSD2 PWWP162 / 65X-RAY DIFFRACTION · 2.4 Å1202atomic completeness calculated
6UE6 · HNSD2 PWWP160 / 65X-RAY DIFFRACTION · 2.4 Å1002atomic completeness calculated
6XCG · ANSD2 PWWP165 / 65X-RAY DIFFRACTION · 1.64 Å601atomic completeness calculated
6XCG · BNSD2 PWWP165 / 65X-RAY DIFFRACTION · 1.64 Å1201atomic completeness calculated
6XCG · CNSD2 PWWP163 / 65X-RAY DIFFRACTION · 1.64 Å401atomic completeness calculated
7LMT · ANSD2 PWWP161 / 65X-RAY DIFFRACTION · 2.27 Å1102atomic completeness calculated
7LMT · BNSD2 PWWP161 / 65X-RAY DIFFRACTION · 2.27 Å1302atomic completeness calculated
7LMT · CNSD2 PWWP161 / 65X-RAY DIFFRACTION · 2.27 Å1302atomic completeness calculated
7LMT · DNSD2 PWWP162 / 65X-RAY DIFFRACTION · 2.27 Å2012atomic completeness calculated
7LMT · ENSD2 PWWP162 / 65X-RAY DIFFRACTION · 2.27 Å1402atomic completeness calculated
7LMT · FNSD2 PWWP161 / 65X-RAY DIFFRACTION · 2.27 Å1102atomic completeness calculated
7LMT · GNSD2 PWWP161 / 65X-RAY DIFFRACTION · 2.27 Å1602atomic completeness calculated
7LMT · HNSD2 PWWP161 / 65X-RAY DIFFRACTION · 2.27 Å1402atomic completeness calculated
7MDN · ANSD2 PWWP161 / 65X-RAY DIFFRACTION · 2.42 Å1102atomic completeness calculated
7MDN · BNSD2 PWWP161 / 65X-RAY DIFFRACTION · 2.42 Å1302atomic completeness calculated
7MDN · CNSD2 PWWP161 / 65X-RAY DIFFRACTION · 2.42 Å1302atomic completeness calculated
7MDN · DNSD2 PWWP162 / 65X-RAY DIFFRACTION · 2.42 Å2012atomic completeness calculated
7MDN · ENSD2 PWWP162 / 65X-RAY DIFFRACTION · 2.42 Å1402atomic completeness calculated
7MDN · FNSD2 PWWP161 / 65X-RAY DIFFRACTION · 2.42 Å1102atomic completeness calculated
7MDN · GNSD2 PWWP161 / 65X-RAY DIFFRACTION · 2.42 Å1602atomic completeness calculated
7MDN · HNSD2 PWWP161 / 65X-RAY DIFFRACTION · 2.42 Å1402atomic completeness calculated
7VLN · ANSD2 PWWP160 / 65X-RAY DIFFRACTION · 3.09 Å001atomic completeness calculated
7VLN · BNSD2 PWWP160 / 65X-RAY DIFFRACTION · 3.09 Å001atomic completeness calculated
7VLN · CNSD2 PWWP162 / 65X-RAY DIFFRACTION · 3.09 Å000atomic completeness calculated
9EXW · ANSD2 PWWP165 / 65X-RAY DIFFRACTION · 2.43 Å801atomic completeness calculated
9EXW · BNSD2 PWWP161 / 65X-RAY DIFFRACTION · 2.43 Å402atomic completeness calculated
9EXX · ANSD2 PWWP165 / 65X-RAY DIFFRACTION · 1.943 Å801atomic completeness calculated
9EXX · BNSD2 PWWP161 / 65X-RAY DIFFRACTION · 1.943 Å402atomic completeness calculated
9EXY · ANSD2 PWWP159 / 65X-RAY DIFFRACTION · 1.699 Å401atomic completeness calculated
9EXY · BNSD2 PWWP165 / 65X-RAY DIFFRACTION · 1.699 Å401atomic completeness calculated
9FOC · ANSD2 PWWP165 / 65X-RAY DIFFRACTION · 1.618 Å702atomic completeness calculated
9FOC · BNSD2 PWWP165 / 65X-RAY DIFFRACTION · 1.618 Å1102atomic completeness calculated
9FOE · ANSD2 PWWP158 / 65X-RAY DIFFRACTION · 1.963 Å401atomic completeness calculated
9KN9 · ANSD2 PWWP162 / 65X-RAY DIFFRACTION · 2.0 Å901atomic completeness calculated
9KN9 · BNSD2 PWWP162 / 65X-RAY DIFFRACTION · 2.0 Å601atomic completeness calculated
9KNA · ANSD2 PWWP162 / 65X-RAY DIFFRACTION · 2.92 Å1002atomic completeness calculated
9KNA · BNSD2 PWWP162 / 65X-RAY DIFFRACTION · 2.92 Å902atomic completeness calculated
9KNB · ANSD2 PWWP160 / 65X-RAY DIFFRACTION · 1.84 Å1321atomic completeness calculated
9Y60 · ANSD2 PWWP165 / 65X-RAY DIFFRACTION · 2.023 Å1601atomic completeness calculated
9Y61 · ANSD2 PWWP165 / 65ELECTRON MICROSCOPY · 3.1 Å001atomic completeness calculated

Reproducible scientific exports

Individual experimental mmCIF files are verified by their original SHA-256. Core coordinates, standard heavy-atom templates and source UniProt mappings are analyzed model-by-model. Union-of-alternates and conformer-consistent completeness are distinct; 5 Å and 6 Å geometric proximity are not equivalent to a validated interaction.