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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252 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
7HGV · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.48 Å901atomic completeness calculated
7HGV · CHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.48 Å1801atomic completeness calculated
7HGW · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.59 Å201atomic completeness calculated
7HGW · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.59 Å901atomic completeness calculated
7HGW · CHDGFL2 PWWP152 / 58X-RAY DIFFRACTION · 1.59 Å1400atomic completeness calculated
7HGX · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.57 Å201atomic completeness calculated
7HGX · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.57 Å901atomic completeness calculated
7HGX · CHDGFL2 PWWP151 / 58X-RAY DIFFRACTION · 1.57 Å1201atomic completeness calculated
7HGY · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.61 Å001atomic completeness calculated
7HGY · BHDGFL2 PWWP152 / 58X-RAY DIFFRACTION · 1.61 Å601atomic completeness calculated
7HGY · CHDGFL2 PWWP155 / 58X-RAY DIFFRACTION · 1.61 Å1500atomic completeness calculated
7HGZ · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.65 Å201atomic completeness calculated
7HGZ · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.65 Å700atomic completeness calculated
7HGZ · CHDGFL2 PWWP151 / 58X-RAY DIFFRACTION · 1.65 Å1200atomic completeness calculated
7HH0 · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.6 Å501atomic completeness calculated
7HH0 · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.6 Å901atomic completeness calculated
7HH0 · CHDGFL2 PWWP152 / 58X-RAY DIFFRACTION · 1.6 Å1500atomic completeness calculated
7HH1 · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.53 Å201atomic completeness calculated
7HH1 · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.53 Å901atomic completeness calculated
7HH1 · CHDGFL2 PWWP152 / 58X-RAY DIFFRACTION · 1.53 Å1500atomic completeness calculated
7HH2 · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.78 Å000atomic completeness calculated
7HH2 · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.78 Å900atomic completeness calculated
7HH2 · CHDGFL2 PWWP151 / 58X-RAY DIFFRACTION · 1.78 Å1201atomic completeness calculated
7HH3 · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.64 Å001atomic completeness calculated
7HH3 · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.64 Å701atomic completeness calculated
7HH3 · CHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.64 Å1300atomic completeness calculated
7HH4 · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.49 Å502atomic completeness calculated
7HH4 · BHDGFL2 PWWP155 / 58X-RAY DIFFRACTION · 1.49 Å901atomic completeness calculated
7HH4 · CHDGFL2 PWWP156 / 58X-RAY DIFFRACTION · 1.49 Å1801atomic completeness calculated
7HH5 · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.66 Å501atomic completeness calculated
7HH5 · BHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.66 Å600atomic completeness calculated
7HH5 · CHDGFL2 PWWP155 / 58X-RAY DIFFRACTION · 1.66 Å1201atomic completeness calculated
7HH6 · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.71 Å001atomic completeness calculated
7HH6 · BHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.71 Å901atomic completeness calculated
7HH6 · CHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.71 Å1500atomic completeness calculated
7HH7 · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.73 Å501atomic completeness calculated
7HH7 · BHDGFL2 PWWP151 / 58X-RAY DIFFRACTION · 1.73 Å501atomic completeness calculated
7HH7 · CHDGFL2 PWWP151 / 58X-RAY DIFFRACTION · 1.73 Å1200atomic completeness calculated
7HH8 · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.81 Å501atomic completeness calculated
7HH8 · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.81 Å900atomic completeness calculated
7HH8 · CHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.81 Å1800atomic completeness calculated
7HH9 · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.54 Å501atomic completeness calculated
7HH9 · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.54 Å901atomic completeness calculated
7HH9 · CHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.54 Å1801atomic completeness calculated
7HHA · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.8 Å502atomic completeness calculated
7HHA · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.8 Å901atomic completeness calculated
7HHA · CHDGFL2 PWWP155 / 58X-RAY DIFFRACTION · 1.8 Å2001atomic completeness calculated
7HHB · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.78 Å201atomic completeness calculated
7HHB · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.78 Å701atomic completeness calculated
7HHB · CHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.78 Å1501atomic completeness calculated
7HHC · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.59 Å501atomic completeness calculated
7HHC · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.59 Å901atomic completeness calculated
7HHC · CHDGFL2 PWWP152 / 58X-RAY DIFFRACTION · 1.59 Å1201atomic completeness calculated
7HHD · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.57 Å201atomic completeness calculated
7HHD · BHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.57 Å901atomic completeness calculated
7HHD · CHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.57 Å1500atomic completeness calculated
7HHE · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 2.04 Å202atomic completeness calculated
7HHE · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 2.04 Å701atomic completeness calculated
7HHE · CHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 2.04 Å1501atomic completeness calculated
7HHF · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.86 Å001atomic completeness calculated
7HHF · BHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.86 Å901atomic completeness calculated
7HHF · CHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.86 Å1800atomic completeness calculated
7HHG · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.5 Å201atomic completeness calculated
7HHG · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.5 Å901atomic completeness calculated
7HHG · CHDGFL2 PWWP151 / 58X-RAY DIFFRACTION · 1.5 Å1200atomic completeness calculated
7HHH · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.69 Å201atomic completeness calculated
7HHH · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.69 Å701atomic completeness calculated
7HHH · CHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.69 Å1500atomic completeness calculated
7HHI · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 2.11 Å301atomic completeness calculated
7HHI · BHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 2.11 Å601atomic completeness calculated
7HHI · CHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 2.11 Å1800atomic completeness calculated
7HHJ · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.78 Å001atomic completeness calculated
7HHJ · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.78 Å901atomic completeness calculated
7HHJ · CHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.78 Å1400atomic completeness calculated
7HHK · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.94 Å102atomic completeness calculated
7HHK · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.94 Å901atomic completeness calculated
7HHK · CHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.94 Å1801atomic completeness calculated
7HHL · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.71 Å501atomic completeness calculated
7HHL · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.71 Å901atomic completeness calculated
7HHL · CHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.71 Å1501atomic completeness calculated
7HHM · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.78 Å501atomic completeness calculated
7HHM · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.78 Å901atomic completeness calculated
7HHM · CHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.78 Å1801atomic completeness calculated
7HHN · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.77 Å001atomic completeness calculated
7HHN · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.77 Å901atomic completeness calculated
7HHN · CHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.77 Å1800atomic completeness calculated
7HHO · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.76 Å201atomic completeness calculated
7HHO · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.76 Å901atomic completeness calculated
7HHO · CHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.76 Å1500atomic completeness calculated
7HHP · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.78 Å201atomic completeness calculated
7HHP · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.78 Å701atomic completeness calculated
7HHP · CHDGFL2 PWWP153 / 58X-RAY DIFFRACTION · 1.78 Å1800atomic completeness calculated
7HHQ · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.6 Å202atomic completeness calculated
7HHQ · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 1.6 Å701atomic completeness calculated
7HHQ · CHDGFL2 PWWP155 / 58X-RAY DIFFRACTION · 1.6 Å1801atomic completeness calculated
7HHR · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 2.03 Å201atomic completeness calculated
7HHR · BHDGFL2 PWWP154 / 58X-RAY DIFFRACTION · 2.03 Å701atomic completeness calculated
7HHR · CHDGFL2 PWWP151 / 58X-RAY DIFFRACTION · 2.03 Å1200atomic completeness calculated
8Z6C · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.93 Å001atomic completeness calculated
8Z6C · BHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.93 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.