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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666 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
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
7CRO · KNSD2 PWWP20 / 63ELECTRON MICROSCOPY · 3.75 ÅCore not observed00domain not observed in deposit
7CRP · KNSD3 PWWP20 / 63ELECTRON MICROSCOPY · 3.2 ÅCore not observed00domain not observed in deposit
7CRQ · KNSD3 PWWP20 / 63ELECTRON MICROSCOPY · 3.15 ÅCore not observed00domain not observed in deposit
7CRQ · LNSD3 PWWP20 / 63ELECTRON MICROSCOPY · 3.15 ÅCore not observed00domain not observed in deposit
7CRR · KNSD3 PWWP20 / 63ELECTRON MICROSCOPY · 3.48 ÅCore not observed00domain not observed in deposit
7E29 · AIOC4 PWWP1101 / 151X-RAY DIFFRACTION · 2.303 Å000atomic completeness calculated
7HG0 · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.58 Å201atomic completeness calculated
7HG0 · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.58 Å901atomic completeness calculated
7HG0 · CHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.58 Å1800atomic completeness calculated
7HG1 · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.81 Å501atomic completeness calculated
7HG1 · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.81 Å901atomic completeness calculated
7HG1 · CHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.81 Å1800atomic completeness calculated
7HG2 · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.7 Å502atomic completeness calculated
7HG2 · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.7 Å901atomic completeness calculated
7HG2 · CHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.7 Å1800atomic completeness calculated
7HG3 · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.45 Å501atomic completeness calculated
7HG3 · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.45 Å901atomic completeness calculated
7HG3 · CHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.45 Å1800atomic completeness calculated
7HG4 · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.57 Å201atomic completeness calculated
7HG4 · BHDGFL2 PWWP152 / 58X-RAY DIFFRACTION · 1.57 Å501atomic completeness calculated
7HG4 · CHDGFL2 PWWP155 / 58X-RAY DIFFRACTION · 1.57 Å1800atomic completeness calculated
7HG5 · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.57 Å501atomic completeness calculated
7HG5 · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.57 Å901atomic completeness calculated
7HG5 · CHDGFL2 PWWP155 / 58X-RAY DIFFRACTION · 1.57 Å1501atomic completeness calculated
7HG6 · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.52 Å201atomic completeness calculated
7HG6 · BHDGFL2 PWWP152 / 58X-RAY DIFFRACTION · 1.52 Å501atomic completeness calculated
7HG6 · CHDGFL2 PWWP155 / 58X-RAY DIFFRACTION · 1.52 Å1800atomic completeness calculated
7HG7 · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.76 Å501atomic completeness calculated
7HG7 · BHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.76 Å601atomic completeness calculated
7HG7 · CHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.76 Å1100atomic completeness calculated
7HG8 · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.67 Å501atomic completeness calculated
7HG8 · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.67 Å901atomic completeness calculated
7HG8 · CHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.67 Å1800atomic completeness calculated
7HG9 · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.58 Å001atomic completeness calculated
7HG9 · BHDGFL2 PWWP152 / 58X-RAY DIFFRACTION · 1.58 Å501atomic completeness calculated
7HG9 · CHDGFL2 PWWP152 / 58X-RAY DIFFRACTION · 1.58 Å1501atomic completeness calculated
7HGA · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.57 Å501atomic completeness calculated
7HGA · BHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.57 Å601atomic completeness calculated
7HGA · CHDGFL2 PWWP151 / 58X-RAY DIFFRACTION · 1.57 Å1200atomic completeness calculated
7HGB · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.52 Å201atomic completeness calculated
7HGB · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.52 Å901atomic completeness calculated
7HGB · CHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.52 Å1800atomic completeness calculated
7HGC · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.51 Å201atomic completeness calculated
7HGC · BHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.51 Å601atomic completeness calculated
7HGC · CHDGFL2 PWWP155 / 58X-RAY DIFFRACTION · 1.51 Å1200atomic completeness calculated
7HGD · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.65 Å002atomic completeness calculated
7HGD · BHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.65 Å601atomic completeness calculated
7HGD · CHDGFL2 PWWP150 / 58X-RAY DIFFRACTION · 1.65 Å800atomic completeness calculated
7HGE · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.77 Å501atomic completeness calculated
7HGE · BHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.77 Å601atomic completeness calculated
7HGE · CHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.77 Å1800atomic completeness calculated
7HGF · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.55 Å201atomic completeness calculated
7HGF · BHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.55 Å901atomic completeness calculated
7HGF · CHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.55 Å1800atomic completeness calculated
7HGG · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.61 Å501atomic completeness calculated
7HGG · BHDGFL2 PWWP152 / 58X-RAY DIFFRACTION · 1.61 Å501atomic completeness calculated
7HGG · CHDGFL2 PWWP151 / 58X-RAY DIFFRACTION · 1.61 Å1100atomic completeness calculated
7HGH · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.74 Å301atomic completeness calculated
7HGH · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.74 Å701atomic completeness calculated
7HGH · CHDGFL2 PWWP150 / 58X-RAY DIFFRACTION · 1.74 Å800atomic completeness calculated
7HGI · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.71 Å201atomic completeness calculated
7HGI · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.71 Å901atomic completeness calculated
7HGI · CHDGFL2 PWWP151 / 58X-RAY DIFFRACTION · 1.71 Å1101atomic completeness calculated
7HGJ · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.75 Å001atomic completeness calculated
7HGJ · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.75 Å901atomic completeness calculated
7HGJ · CHDGFL2 PWWP156 / 58X-RAY DIFFRACTION · 1.75 Å1801atomic completeness calculated
7HGK · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.59 Å501atomic completeness calculated
7HGK · BHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.59 Å601atomic completeness calculated
7HGK · CHDGFL2 PWWP151 / 58X-RAY DIFFRACTION · 1.59 Å1200atomic completeness calculated
7HGL · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.73 Å201atomic completeness calculated
7HGL · BHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.73 Å901atomic completeness calculated
7HGL · CHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.73 Å1501atomic completeness calculated
7HGM · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.61 Å502atomic completeness calculated
7HGM · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.61 Å901atomic completeness calculated
7HGM · CHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.61 Å1801atomic completeness calculated
7HGN · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.55 Å201atomic completeness calculated
7HGN · BHDGFL2 PWWP155 / 58X-RAY DIFFRACTION · 1.55 Å901atomic completeness calculated
7HGN · CHDGFL2 PWWP151 / 58X-RAY DIFFRACTION · 1.55 Å1201atomic completeness calculated
7HGO · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.44 Å201atomic completeness calculated
7HGO · BHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.44 Å901atomic completeness calculated
7HGO · CHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.44 Å1800atomic completeness calculated
7HGP · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.62 Å201atomic completeness calculated
7HGP · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.62 Å900atomic completeness calculated
7HGP · CHDGFL2 PWWP150 / 58X-RAY DIFFRACTION · 1.62 Å800atomic completeness calculated
7HGQ · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.76 Å201atomic completeness calculated
7HGQ · BHDGFL2 PWWP155 / 58X-RAY DIFFRACTION · 1.76 Å901atomic completeness calculated
7HGQ · CHDGFL2 PWWP151 / 58X-RAY DIFFRACTION · 1.76 Å1000atomic completeness calculated
7HGR · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.41 Å301atomic completeness calculated
7HGR · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.41 Å701atomic completeness calculated
7HGR · CHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.41 Å1501atomic completeness calculated
7HGS · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.51 Å501atomic completeness calculated
7HGS · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.51 Å701atomic 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.