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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48 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
2M16 · APSIP1 PWWP164 / 64SOLUTION NMR · 20 models000atomic completeness calculated
3ZEH · APSIP1 PWWP162 / 64SOLUTION NMR · 20 models000atomic completeness calculated
4FU6 · APSIP1 PWWP162 / 64X-RAY DIFFRACTION · 2.1 Å1820atomic completeness calculated
6S01 · KPSIP1 PWWP159 / 64ELECTRON MICROSCOPY · 3.2 Å010atomic completeness calculated
7OUF · CPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 3.0 ÅCore not observed00domain not observed in deposit
7OUF · HPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 3.0 ÅCore not observed00domain not observed in deposit
7OUG · CPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 3.1 ÅCore not observed00domain not observed in deposit
7OUG · HPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 3.1 ÅCore not observed00domain not observed in deposit
7OUH · CPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 3.5 ÅCore not observed00domain not observed in deposit
7OUH · HPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 3.5 ÅCore not observed00domain not observed in deposit
7PEL · CPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 3.34 ÅCore not observed00domain not observed in deposit
7PEL · HPSIP1 PWWP10 / 64ELECTRON MICROSCOPY · 3.34 ÅCore not observed00domain not observed in deposit
8CBN · IPSIP1 PWWP159 / 64ELECTRON MICROSCOPY · 3.34 Å010atomic completeness calculated
8CBN · LPSIP1 PWWP159 / 64ELECTRON MICROSCOPY · 3.34 Å010atomic completeness calculated
8CBQ · IPSIP1 PWWP159 / 64ELECTRON MICROSCOPY · 4.0 Å010atomic completeness calculated
8PC5 · JPSIP1 PWWP159 / 64ELECTRON MICROSCOPY · 3.02 Å010atomic completeness calculated
8PC6 · JPSIP1 PWWP159 / 64ELECTRON MICROSCOPY · 3.04 Å010atomic completeness calculated
8PC6 · LPSIP1 PWWP159 / 64ELECTRON MICROSCOPY · 3.04 Å010atomic completeness calculated
8PEO · JPSIP1 PWWP159 / 64ELECTRON MICROSCOPY · 2.69 Å010atomic completeness calculated
8PEP · JPSIP1 PWWP159 / 64ELECTRON MICROSCOPY · 3.33 Å010atomic completeness calculated
8PEP · LPSIP1 PWWP159 / 64ELECTRON MICROSCOPY · 3.33 Å010atomic 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
9XYC · KPSIP1 PWWP158 / 64ELECTRON MICROSCOPY · 3.5 Å010atomic 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.