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
11NZ · ADNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 4.19 ÅCore not observed00domain not observed in deposit
11NZ · BDNMT3A PWWP159 / 59ELECTRON MICROSCOPY · 4.19 Å19800atomic completeness calculated
11NZ · CDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 4.19 ÅCore not observed00domain not observed in deposit
11NZ · DDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 4.19 ÅCore not observed00domain not observed in deposit
11NZ · EDNMT3A PWWP159 / 59ELECTRON MICROSCOPY · 4.19 Å5200atomic completeness calculated
11NZ · FDNMT3A PWWP159 / 59ELECTRON MICROSCOPY · 4.19 Å5200atomic completeness calculated
11NZ · GDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 4.19 ÅCore not observed00domain not observed in deposit
11NZ · HDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 4.19 ÅCore not observed00domain not observed in deposit
11NZ · IDNMT3A PWWP159 / 59ELECTRON MICROSCOPY · 4.19 Å19800atomic completeness calculated
11NZ · JDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 4.19 ÅCore not observed00domain not observed in deposit
11OA · ADNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 5.04 ÅCore not observed00domain not observed in deposit
11OA · BDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 5.04 ÅCore not observed00domain not observed in deposit
11OA · CDNMT3A PWWP159 / 59ELECTRON MICROSCOPY · 5.04 Å19800atomic completeness calculated
11OA · DDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 5.04 ÅCore not observed00domain not observed in deposit
11OA · EDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 5.04 ÅCore not observed00domain not observed in deposit
11OA · FDNMT3A PWWP159 / 59ELECTRON MICROSCOPY · 5.04 Å19800atomic completeness calculated
11OA · GDNMT3A PWWP159 / 59ELECTRON MICROSCOPY · 5.04 Å19800atomic completeness calculated
11OA · HDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 5.04 ÅCore not observed00domain not observed in deposit
11OA · IDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 5.04 ÅCore not observed00domain not observed in deposit
11OA · JDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 5.04 ÅCore not observed00domain not observed in deposit
11OA · KDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 5.04 ÅCore not observed00domain not observed in deposit
11OA · LDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 5.04 ÅCore not observed00domain not observed in deposit
11OA · MDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 5.04 ÅCore not observed00domain not observed in deposit
11OA · NDNMT3A PWWP159 / 59ELECTRON MICROSCOPY · 5.04 Å19800atomic completeness calculated
11OA · ODNMT3A PWWP159 / 59ELECTRON MICROSCOPY · 5.04 Å19800atomic completeness calculated
11OA · PDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 5.04 ÅCore not observed00domain not observed in deposit
11OA · QDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 5.04 ÅCore not observed00domain not observed in deposit
11OA · RDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 5.04 ÅCore not observed00domain not observed in deposit
11OH · ADNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.58 ÅCore not observed00domain not observed in deposit
11OH · BDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.58 ÅCore not observed00domain not observed in deposit
11OH · CDNMT3A PWWP159 / 59ELECTRON MICROSCOPY · 3.58 Å600atomic completeness calculated
11OH · DDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.58 ÅCore not observed00domain not observed in deposit
11OI · ADNMT3A PWWP159 / 59ELECTRON MICROSCOPY · 3.66 Å600atomic completeness calculated
11OI · BDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.66 ÅCore not observed00domain not observed in deposit
11OI · CDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.66 ÅCore not observed00domain not observed in deposit
11OI · DDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.66 ÅCore not observed00domain not observed in deposit
11OI · EDNMT3A PWWP10 / 59ELECTRON MICROSCOPY · 3.66 ÅCore not observed00domain not observed in deposit
11OI · FDNMT3A PWWP159 / 59ELECTRON MICROSCOPY · 3.66 Å19800atomic completeness calculated
1H3Z · Apdp2 PWWP165 / 65SOLUTION NMR · 23 models000atomic completeness calculated
1KHC · ADnmt3b PWWP159 / 59X-RAY DIFFRACTION · 1.8 Å900atomic completeness calculated
1N27 · AHdgfl3 PWWP158 / 58SOLUTION NMR · 20 models000atomic completeness calculated
1RI0 · AHDGF PWWP158 / 58SOLUTION NMR · 20 models000atomic completeness calculated
29HG · BNSD2 PWWP165 / 65ELECTRON MICROSCOPY · 4.0 Å1901atomic completeness calculated
29HG · BNSD2 PWWP20 / 63ELECTRON MICROSCOPY · 4.0 ÅCore not observed00domain not observed in deposit
29HH · BNSD2 PWWP165 / 65ELECTRON MICROSCOPY · 4.2 Å1901atomic completeness calculated
29HH · BNSD2 PWWP20 / 63ELECTRON MICROSCOPY · 4.2 ÅCore not observed00domain not observed in deposit
29HI · BNSD2 PWWP165 / 65ELECTRON MICROSCOPY · 5.9 Å1901atomic completeness calculated
29HI · BNSD2 PWWP20 / 63ELECTRON MICROSCOPY · 5.9 ÅCore not observed00domain not observed in deposit
2B8A · AHdgf PWWP158 / 58SOLUTION NMR · 26 models000atomic completeness calculated
2DAQ · ANSD3 PWWP263 / 63SOLUTION NMR · 20 models000atomic completeness calculated
2GFU · AMSH6 PWWP163 / 63SOLUTION NMR · 20 models000atomic completeness calculated
2L89 · Apdp1 PWWP163 / 63SOLUTION NMR · 20 models000atomic completeness calculated
2M16 · APSIP1 PWWP164 / 64SOLUTION NMR · 20 models000atomic completeness calculated
2NAS · A28H13_90 PWWP162 / 62SOLUTION NMR · 20 models000atomic completeness calculated
2NLU · AHDGF PWWP158 / 58SOLUTION NMR · 16 models000atomic completeness calculated
2NLU · BHDGF PWWP158 / 58SOLUTION NMR · 16 models000atomic completeness calculated
2X35 · ABRPF1 PWWP184 / 84X-RAY DIFFRACTION · 2.0 Å000atomic completeness calculated
2X4W · ABRPF1 PWWP184 / 84X-RAY DIFFRACTION · 1.5 Å000atomic completeness calculated
2X4X · ABRPF1 PWWP184 / 84X-RAY DIFFRACTION · 1.85 Å000atomic completeness calculated
2X4X · CBRPF1 PWWP184 / 84X-RAY DIFFRACTION · 1.85 Å000atomic completeness calculated
2X4X · EBRPF1 PWWP184 / 84X-RAY DIFFRACTION · 1.85 Å000atomic completeness calculated
2X4X · GBRPF1 PWWP184 / 84X-RAY DIFFRACTION · 1.85 Å000atomic completeness calculated
2X4Y · ABRPF1 PWWP184 / 84X-RAY DIFFRACTION · 1.7 Å000atomic completeness calculated
2X4Y · CBRPF1 PWWP184 / 84X-RAY DIFFRACTION · 1.7 Å000atomic completeness calculated
2X4Y · EBRPF1 PWWP184 / 84X-RAY DIFFRACTION · 1.7 Å000atomic completeness calculated
2X4Y · GBRPF1 PWWP184 / 84X-RAY DIFFRACTION · 1.7 Å000atomic completeness calculated
2X4Y · IBRPF1 PWWP184 / 84X-RAY DIFFRACTION · 1.7 Å000atomic completeness calculated
2X4Y · KBRPF1 PWWP184 / 84X-RAY DIFFRACTION · 1.7 Å000atomic completeness calculated
2X4Y · MBRPF1 PWWP184 / 84X-RAY DIFFRACTION · 1.7 Å000atomic completeness calculated
2X4Y · OBRPF1 PWWP184 / 84X-RAY DIFFRACTION · 1.7 Å000atomic completeness calculated
2YRV · AARID4A PWWP193 / 93SOLUTION NMR · 20 models000atomic completeness calculated
3EAE · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 2.24 Å700atomic completeness calculated
3EAE · BHDGFL2 PWWP147 / 58X-RAY DIFFRACTION · 2.24 Å1600atomic completeness calculated
3FLG · ADNMT3B PWWP159 / 59X-RAY DIFFRACTION · 1.8 Å400atomic completeness calculated
3L42 · ABRPF1 PWWP184 / 84X-RAY DIFFRACTION · 1.3 Å3200atomic completeness calculated
3LLR · ADNMT3A PWWP159 / 59X-RAY DIFFRACTION · 2.3 Å000atomic completeness calculated
3LLR · BDNMT3A PWWP159 / 59X-RAY DIFFRACTION · 2.3 Å000atomic completeness calculated
3LLR · CDNMT3A PWWP159 / 59X-RAY DIFFRACTION · 2.3 Å000atomic completeness calculated
3LLR · DDNMT3A PWWP159 / 59X-RAY DIFFRACTION · 2.3 Å000atomic completeness calculated
3LLR · EDNMT3A PWWP159 / 59X-RAY DIFFRACTION · 2.3 Å000atomic completeness calculated
3LYI · ABRD1 PWWP184 / 84X-RAY DIFFRACTION · 2.1 Å000atomic completeness calculated
3LYI · BBRD1 PWWP169 / 84X-RAY DIFFRACTION · 2.1 Å000atomic completeness calculated
3MO8 · ABRPF1 PWWP184 / 84X-RAY DIFFRACTION · 1.69 Å400atomic completeness calculated
3PFS · ABRPF3 PWWP184 / 84X-RAY DIFFRACTION · 1.9 Å1000atomic completeness calculated
3PFS · BBRPF3 PWWP184 / 84X-RAY DIFFRACTION · 1.9 Å1000atomic completeness calculated
3PMI · APWWP3A PWWP162 / 62X-RAY DIFFRACTION · 2.82 Å4800atomic completeness calculated with chemistry limitations
3PMI · BPWWP3A PWWP162 / 62X-RAY DIFFRACTION · 2.82 Å2400atomic completeness calculated with chemistry limitations
3PMI · CPWWP3A PWWP162 / 62X-RAY DIFFRACTION · 2.82 Å3100atomic completeness calculated with chemistry limitations
3PMI · DPWWP3A PWWP162 / 62X-RAY DIFFRACTION · 2.82 Å3600atomic completeness calculated with chemistry limitations
3QBY · AHDGFL2 PWWP158 / 58X-RAY DIFFRACTION · 1.95 Å500atomic completeness calculated
3QBY · BHDGFL2 PWWP151 / 58X-RAY DIFFRACTION · 1.95 Å300atomic completeness calculated
3QBY · CHDGFL2 PWWP149 / 58X-RAY DIFFRACTION · 1.95 Å1100atomic completeness calculated
3QJ6 · AHDGFL2 PWWP156 / 58X-RAY DIFFRACTION · 2.3 Å700atomic 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
3ZEH · APSIP1 PWWP162 / 64SOLUTION NMR · 20 models000atomic completeness calculated
4COS · AZMYND8 PWWP151 / 51X-RAY DIFFRACTION · 1.67 Å000atomic completeness calculated
4FU6 · APSIP1 PWWP162 / 64X-RAY DIFFRACTION · 2.1 Å1820atomic 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.