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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86 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
3FLG · ADNMT3B PWWP159 / 59X-RAY DIFFRACTION · 1.8 Å400atomic completeness calculated
3QKJ · ADNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.04 Å400atomic completeness calculated
3QKJ · BDNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.04 Å600atomic completeness calculated
3QKJ · CDNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.04 Å1000atomic completeness calculated
3QKJ · DDNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.04 Å600atomic completeness calculated
5CIU · ADNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.24 Å400atomic completeness calculated
5CIU · BDNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.24 Å500atomic completeness calculated
5NR3 · ADNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.3 Å001atomic completeness calculated
5NR3 · BDNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.3 Å001atomic completeness calculated
5NRR · ADNMT3B PWWP159 / 59X-RAY DIFFRACTION · 1.7 Å001atomic completeness calculated
5NRR · BDNMT3B PWWP159 / 59X-RAY DIFFRACTION · 1.7 Å001atomic completeness calculated
5NRS · ADNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.3 Å001atomic completeness calculated
5NRS · BDNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.3 Å001atomic completeness calculated
5NRV · ADNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.075 Å001atomic completeness calculated
5NRV · BDNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.075 Å001atomic completeness calculated
5NV0 · ADNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.399 Å001atomic completeness calculated
5NV0 · BDNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.399 Å001atomic completeness calculated
5NV2 · ADNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.029 Å001atomic completeness calculated
5NV2 · BDNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.029 Å001atomic completeness calculated
5NV7 · ADNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.568 Å001atomic completeness calculated
5NV7 · BDNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.568 Å001atomic completeness calculated
5NVO · ADNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.4 Å001atomic completeness calculated
5NVO · BDNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.4 Å001atomic completeness calculated
6PA7 · LDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 2.94 ÅCore not observed00domain not observed in deposit
6PA7 · NDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 2.94 ÅCore not observed00domain not observed in deposit
6R3E · ADNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.269 Å001atomic completeness calculated
6R3E · BDNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.269 Å000atomic completeness calculated
8EIH · ADNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.04 ÅCore not observed00domain not observed in deposit
8EIH · BDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.04 ÅCore not observed00domain not observed in deposit
8EIH · CDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.04 ÅCore not observed00domain not observed in deposit
8EIH · DDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.04 ÅCore not observed00domain not observed in deposit
8EIH · EDNMT3B PWWP159 / 59ELECTRON MICROSCOPY · 3.04 Å4100atomic completeness calculated
8EII · ADNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.12 ÅCore not observed00domain not observed in deposit
8EII · BDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.12 ÅCore not observed00domain not observed in deposit
8EII · CDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.12 ÅCore not observed00domain not observed in deposit
8EII · DDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.12 ÅCore not observed00domain not observed in deposit
8EIJ · ADNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.34 ÅCore not observed00domain not observed in deposit
8EIJ · BDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.34 ÅCore not observed00domain not observed in deposit
8EIJ · CDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.34 ÅCore not observed00domain not observed in deposit
8EIK · ADNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.19 ÅCore not observed00domain not observed in deposit
8EIK · BDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.19 ÅCore not observed00domain not observed in deposit
8EIK · CDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.19 ÅCore not observed00domain not observed in deposit
8EIK · DDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.19 ÅCore not observed00domain not observed in deposit
8EIK · EDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.19 ÅCore not observed00domain not observed in deposit
8EIK · FDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.19 ÅCore not observed00domain not observed in deposit
8ZLK · ADNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.74 Å000atomic completeness calculated
8ZLK · BDNMT3B PWWP159 / 59X-RAY DIFFRACTION · 2.74 Å000atomic completeness calculated
9E00 · SDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.75 ÅCore not observed00domain not observed in deposit
9E00 · TDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.75 ÅCore not observed00domain not observed in deposit
9E00 · WDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.75 ÅCore not observed00domain not observed in deposit
9E00 · XDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.75 ÅCore not observed00domain not observed in deposit
9E05 · SDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 8.0 ÅCore not observed00domain not observed in deposit
9E05 · TDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 8.0 ÅCore not observed00domain not observed in deposit
9E05 · WDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 8.0 ÅCore not observed00domain not observed in deposit
9E05 · XDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 8.0 ÅCore not observed00domain not observed in deposit
9E0F · ADNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.46 ÅCore not observed00domain not observed in deposit
9E0F · BDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.46 ÅCore not observed00domain not observed in deposit
9E0G · ADNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.72 ÅCore not observed00domain not observed in deposit
9E0G · BDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.72 ÅCore not observed00domain not observed in deposit
9E2D · QDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 6.08 ÅCore not observed00domain not observed in deposit
9E2D · RDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 6.08 ÅCore not observed00domain not observed in deposit
9E2D · UDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 6.08 ÅCore not observed00domain not observed in deposit
9E2D · VDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 6.08 ÅCore not observed00domain not observed in deposit
9E2Q · SDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.14 ÅCore not observed00domain not observed in deposit
9E2Q · TDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.14 ÅCore not observed00domain not observed in deposit
9E2Q · WDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.14 ÅCore not observed00domain not observed in deposit
9E2Q · XDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.14 ÅCore not observed00domain not observed in deposit
9E2R · SDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 7.71 ÅCore not observed00domain not observed in deposit
9E2R · TDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 7.71 ÅCore not observed00domain not observed in deposit
9E2R · WDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 7.71 ÅCore not observed00domain not observed in deposit
9E2R · XDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 7.71 ÅCore not observed00domain not observed in deposit
9E3D · SDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.8 ÅCore not observed00domain not observed in deposit
9E3D · TDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.8 ÅCore not observed00domain not observed in deposit
9E3R · SDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 6.9 ÅCore not observed00domain not observed in deposit
9E3R · TDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 6.9 ÅCore not observed00domain not observed in deposit
9E3R · WDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 6.9 ÅCore not observed00domain not observed in deposit
9E3R · XDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 6.9 ÅCore not observed00domain not observed in deposit
9E3U · IDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 4.9 ÅCore not observed00domain not observed in deposit
9E3U · LDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 4.9 ÅCore not observed00domain not observed in deposit
9E3U · MDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 4.9 ÅCore not observed00domain not observed in deposit
9Q7U · KDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.4 ÅCore not observed00domain not observed in deposit
9Q7U · LDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.4 ÅCore not observed00domain not observed in deposit
9Y4P · SDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.84 ÅCore not observed00domain not observed in deposit
9Y4P · TDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.84 ÅCore not observed00domain not observed in deposit
9Y4P · WDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.84 ÅCore not observed00domain not observed in deposit
9Y4P · XDNMT3B PWWP10 / 59ELECTRON MICROSCOPY · 3.84 ÅCore not observed00domain not observed in deposit

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.