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
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
9LQ1 · ADNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.36 ÅCore not observed00domain not observed in deposit
9LQ1 · DDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.36 ÅCore not observed00domain not observed in deposit
9MP0 · ADNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.66 ÅCore not observed00domain not observed in deposit
9MP0 · BDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.66 ÅCore not observed00domain not observed in deposit
9MP0 · CDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.66 ÅCore not observed00domain not observed in deposit
9MP0 · DDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.66 ÅCore not observed00domain not observed in deposit
9MP0 · EDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.66 ÅCore not observed00domain not observed in deposit
9MP0 · FDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.66 ÅCore not observed00domain not observed in deposit
9MP0 · GDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.66 ÅCore not observed00domain not observed in deposit
9MP0 · HDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.66 ÅCore not observed00domain not observed in deposit
9MPO · ADNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.62 ÅCore not observed00domain not observed in deposit
9MPO · BDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.62 ÅCore not observed00domain not observed in deposit
9MPO · CDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.62 ÅCore not observed00domain not observed in deposit
9MPO · DDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.62 ÅCore not observed00domain not observed in deposit
9MPO · EDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.62 ÅCore not observed00domain not observed in deposit
9MPO · FDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.62 ÅCore not observed00domain not observed in deposit
9MPP · KDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.1 ÅCore not observed00domain not observed in deposit
9MPP · MDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.1 ÅCore not observed00domain not observed in deposit
9PRW · ADNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.66 ÅCore not observed00domain not observed in deposit
9PRW · DDNMT3A PWWP159 / 59ELECTRON MICROSCOPY · 3.66 Å600atomic completeness calculated
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
9Q7U · MDNMT3A PWWP159 / 59ELECTRON MICROSCOPY · 3.4 Å000atomic completeness calculated
9Q7U · NDNMT3A PWWP159 / 59ELECTRON MICROSCOPY · 3.4 Å000atomic completeness calculated
9S28 · QPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 2.8 ÅCore not observed00domain not observed in deposit
9S28 · RPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 2.8 ÅCore not observed00domain not observed in deposit
9S28 · SPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 2.8 ÅCore not observed00domain not observed in deposit
9S28 · TPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 2.8 ÅCore not observed00domain not observed in deposit
9S28 · UPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 2.8 ÅCore not observed00domain not observed in deposit
9S28 · VPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 2.8 ÅCore not observed00domain not observed in deposit
9S28 · WPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 2.8 ÅCore not observed00domain not observed in deposit
9S28 · XPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 2.8 ÅCore not observed00domain not observed in deposit
9S28 · YPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 2.8 ÅCore not observed00domain not observed in deposit
9S28 · ZPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 2.8 ÅCore not observed00domain not observed in deposit
9S29 · AAPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 2.8 ÅCore not observed00domain not observed in deposit
9S29 · BAPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 2.8 ÅCore not observed00domain not observed in deposit
9S29 · CAPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 2.8 ÅCore not observed00domain not observed in deposit
9S29 · DAPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 2.8 ÅCore not observed00domain not observed in deposit
9S29 · EAPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 2.8 ÅCore not observed00domain not observed in deposit
9S29 · FAPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 2.8 ÅCore not observed00domain not observed in deposit
9S29 · KPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 2.8 ÅCore not observed00domain not observed in deposit
9S29 · LPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 2.8 ÅCore not observed00domain not observed in deposit
9S29 · MPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 2.8 ÅCore not observed00domain not observed in deposit
9S29 · NPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 2.8 ÅCore not observed00domain not observed in deposit
9S29 · OPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 2.8 ÅCore not observed00domain not observed in deposit
9S29 · PPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 2.8 ÅCore not observed00domain not observed in deposit
9S81 · APSIP1 PWWP161 / 64X-RAY DIFFRACTION · 1.63 Å700atomic completeness calculated
9S81 · BPSIP1 PWWP155 / 64X-RAY DIFFRACTION · 1.63 Å700atomic completeness calculated
9S81 · CPSIP1 PWWP154 / 64X-RAY DIFFRACTION · 1.63 Å2400atomic completeness calculated
9S83 · BPSIP1 PWWP163 / 64X-RAY DIFFRACTION · 2.1 Å000atomic completeness calculated
9T2F · AZMYND8 PWWP151 / 51X-RAY DIFFRACTION · 1.68 Å700atomic completeness calculated
9T2G · AZMYND8 PWWP151 / 51X-RAY DIFFRACTION · 1.66 Å000atomic completeness calculated
9XYC · KPSIP1 PWWP158 / 64ELECTRON MICROSCOPY · 3.5 Å010atomic completeness calculated
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 · UDNMT3A PWWP159 / 59ELECTRON MICROSCOPY · 3.84 Å000atomic completeness calculated
9Y4P · VDNMT3A PWWP159 / 59ELECTRON MICROSCOPY · 3.84 Å000atomic completeness calculated
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
9Y4P · YDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.84 ÅCore not observed00domain not observed in deposit
9Y4P · ZDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.84 ÅCore not observed00domain not observed in deposit
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.