STRUCTURAL BIOLOGY & CHEMICAL EVIDENCEDataset v1.2 · Phase 6D · Comparative experimental recognition environments

Experimental coordinates · Exact deposited instances

Ligand contacts & pocket quality

Inspect the atoms that are present, the residues that are missing, and the precise scope of each chemical association.

DNMT3A PWWP111OA · chain CPWWP_POCKET_QUALITY_1.0.0

Phase 6C historical atom / receptor assessment Phase 6C.1 full-atom experimental quality inventory

Full-coordinate Phase 6C.1 atom and ligand environment assessment

ExamplesNSD2 · UNC6934NSD3 · BI-932111OA · missing side chains

Source-verified molecular view

11OA · ZN

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Atom completeness · selected chain and annotation core

What can these coordinates support?

Export selected evidence
Core residues observed59 / 59
Unobserved core residues0
Missing heavy atoms in observed core198
Missing backbone atoms in observed core0
Standard atoms presentMissing heavy atomsUnobserved residueTemplate unassessed
Select a residue to inspect atom names, deposited numbering, alternate conformers and coordinate gaps.
Construct substitutions, alternate conformers and interpretation

Detailed atom completeness only for the three packaged original-coordinate files; quality uses observed atom-name union across positive-occupancy alternate conformers, with per-alt differences retained. Missing entire residues are separate. Nonstandard amino-acid templates are unassessed. No density reinterpretation, receptor repair, docking or MD.

Source-recorded construct sequence mismatches: [{"construct": "H", "entity_position": 603, "reference": "R", "uniprot_position": 882}]. Observed core substitutions: [].

Core residues with alternate conformers: 0. Alternate-specific completeness is retained in the selected JSON export. Missing coordinates have not been filled.

A fully observed annotation core is not a complete-receptor certification. Short annotation intervals, absent peripheral residues, alternate conformers and unexamined density can limit structural interpretation. No receptor preparation was performed.

Frozen 5 Å heavy-atom proximity observations

Contacting residues · ZN

7 full-chain residues

Heavy-atom distances use the first deposited model and asymmetric unit, occupancy >0 and retained alternate locations. No symmetry expansion or affinity inference. Proximity alone is not evidence of affinity or a functional interaction.

Canonical residueDeposited residueScopeMinimum distanceAtom qualityInspect
CYS 537C:537 · entity 258 · label Coutside PWWP annotations2.3323 ÅStandard atoms present
ILE 539C:539 · entity 260 · label Coutside PWWP annotations4.3938 ÅStandard atoms present
CYS 540C:540 · entity 261 · label Coutside PWWP annotations2.3219 ÅStandard atoms present
CYS 541C:541 · entity 262 · label Coutside PWWP annotations4.8958 ÅStandard atoms present
GLY 542C:542 · entity 263 · label Coutside PWWP annotations4.3005 ÅStandard atoms present
CYS 559C:559 · entity 280 · label Coutside PWWP annotations2.3161 ÅStandard atoms present
CYS 562C:562 · entity 283 · label Coutside PWWP annotations2.3286 ÅStandard atoms present

Identity, native target and exact site links

Linked experimental assays

Measured preparationMethod / endpointOriginal observationTested constructEvidence
No exact site-to-assay link is established in the frozen evidence graph. Visit the domain's Ligands & Bioactivity section for newly curated or structure-free observations.

Filterable structural assessment inventory

Coordinate coverage & quality

666 chain/domain records · 22 assessed for atom completeness
Export filtered CSVStructural gap inventory
104 selected chain/domain records. Ligand counts mean deposited proximity; all-atom completeness is assessed only where specified.
PDB / chainDomainCore Cα coveragePWWP-contact ligand instancesAtom assessmentMissing core heavy atoms
11NZ · ADNMT3A PWWP10 / 590Unassessed—
11NZ · BDNMT3A PWWP159 / 590Unassessed—
11NZ · CDNMT3A PWWP10 / 590Unassessed—
11NZ · DDNMT3A PWWP10 / 590Unassessed—
11NZ · EDNMT3A PWWP159 / 590Unassessed—
11NZ · FDNMT3A PWWP159 / 590Unassessed—
11NZ · GDNMT3A PWWP10 / 590Unassessed—
11NZ · HDNMT3A PWWP10 / 590Unassessed—
11NZ · IDNMT3A PWWP159 / 590Unassessed—
11NZ · JDNMT3A PWWP10 / 590Unassessed—
11OA · ADNMT3A PWWP10 / 590Assessed0
11OA · BDNMT3A PWWP10 / 590Assessed0
11OA · CDNMT3A PWWP159 / 590Assessed198
11OA · DDNMT3A PWWP10 / 590Assessed0
11OA · EDNMT3A PWWP10 / 590Assessed0
11OA · FDNMT3A PWWP159 / 590Assessed198
11OA · GDNMT3A PWWP159 / 590Assessed198
11OA · HDNMT3A PWWP10 / 590Assessed0
11OA · IDNMT3A PWWP10 / 590Assessed0
11OA · JDNMT3A PWWP10 / 590Assessed0
11OA · KDNMT3A PWWP10 / 590Assessed0
11OA · LDNMT3A PWWP10 / 590Assessed0
11OA · MDNMT3A PWWP10 / 590Assessed0
11OA · NDNMT3A PWWP159 / 590Assessed198
11OA · ODNMT3A PWWP159 / 590Assessed198
11OA · PDNMT3A PWWP10 / 590Assessed0
11OA · QDNMT3A PWWP10 / 590Assessed0
11OA · RDNMT3A PWWP10 / 590Assessed0
11OH · ADNMT3A PWWP10 / 590Unassessed—
11OH · BDNMT3A PWWP10 / 590Unassessed—
11OH · CDNMT3A PWWP159 / 590Unassessed—
11OH · DDNMT3A PWWP10 / 590Unassessed—
11OI · ADNMT3A PWWP159 / 590Unassessed—
11OI · BDNMT3A PWWP10 / 590Unassessed—
11OI · CDNMT3A PWWP10 / 590Unassessed—
11OI · DDNMT3A PWWP10 / 590Unassessed—
11OI · EDNMT3A PWWP10 / 590Unassessed—
11OI · FDNMT3A PWWP159 / 590Unassessed—
3LLR · ADNMT3A PWWP159 / 591Unassessed—
3LLR · BDNMT3A PWWP159 / 592Unassessed—
3LLR · CDNMT3A PWWP159 / 591Unassessed—
3LLR · DDNMT3A PWWP159 / 591Unassessed—
3LLR · EDNMT3A PWWP159 / 591Unassessed—
6PA7 · KDNMT3A PWWP10 / 590Unassessed—
6PA7 · MDNMT3A PWWP10 / 590Unassessed—
8QZM · KDNMT3A PWWP10 / 590Unassessed—
9E00 · UDNMT3A PWWP10 / 590Unassessed—
9E00 · VDNMT3A PWWP10 / 590Unassessed—
9E00 · YDNMT3A PWWP10 / 590Unassessed—
9E00 · ZDNMT3A PWWP10 / 590Unassessed—
9E05 · UDNMT3A PWWP10 / 590Unassessed—
9E05 · VDNMT3A PWWP159 / 590Unassessed—
9E05 · YDNMT3A PWWP10 / 590Unassessed—
9E05 · ZDNMT3A PWWP159 / 590Unassessed—
9E0F · CDNMT3A PWWP10 / 590Unassessed—
9E0F · DDNMT3A PWWP159 / 590Unassessed—
9E0G · CDNMT3A PWWP10 / 590Unassessed—
9E0G · DDNMT3A PWWP159 / 590Unassessed—
9E2D · SDNMT3A PWWP10 / 590Unassessed—
9E2D · TDNMT3A PWWP159 / 590Unassessed—
9E2D · WDNMT3A PWWP10 / 590Unassessed—
9E2D · XDNMT3A PWWP159 / 590Unassessed—
9E2Q · UDNMT3A PWWP10 / 590Unassessed—
9E2Q · VDNMT3A PWWP10 / 590Unassessed—
9E2Q · YDNMT3A PWWP10 / 590Unassessed—
9E2Q · ZDNMT3A PWWP10 / 590Unassessed—
9E2R · UDNMT3A PWWP10 / 590Unassessed—
9E2R · VDNMT3A PWWP159 / 590Unassessed—
9E2R · YDNMT3A PWWP10 / 590Unassessed—
9E2R · ZDNMT3A PWWP159 / 590Unassessed—
9E3D · UDNMT3A PWWP10 / 590Unassessed—
9E3D · VDNMT3A PWWP159 / 590Unassessed—
9E3R · UDNMT3A PWWP10 / 590Unassessed—
9E3R · VDNMT3A PWWP10 / 590Unassessed—
9E3R · YDNMT3A PWWP10 / 590Unassessed—
9E3R · ZDNMT3A PWWP10 / 590Unassessed—
9E3U · NDNMT3A PWWP10 / 590Unassessed—
9E3U · ODNMT3A PWWP10 / 590Unassessed—
9LQ1 · ADNMT3A PWWP10 / 590Unassessed—
9LQ1 · DDNMT3A PWWP10 / 590Unassessed—
9MP0 · ADNMT3A PWWP10 / 590Unassessed—
9MP0 · BDNMT3A PWWP10 / 590Unassessed—
9MP0 · CDNMT3A PWWP10 / 590Unassessed—
9MP0 · DDNMT3A PWWP10 / 590Unassessed—
9MP0 · EDNMT3A PWWP10 / 590Unassessed—
9MP0 · FDNMT3A PWWP10 / 590Unassessed—
9MP0 · GDNMT3A PWWP10 / 590Unassessed—
9MP0 · HDNMT3A PWWP10 / 590Unassessed—
9MPO · ADNMT3A PWWP10 / 590Unassessed—
9MPO · BDNMT3A PWWP10 / 590Unassessed—
9MPO · CDNMT3A PWWP10 / 590Unassessed—
9MPO · DDNMT3A PWWP10 / 590Unassessed—
9MPO · EDNMT3A PWWP10 / 590Unassessed—
9MPO · FDNMT3A PWWP10 / 590Unassessed—
9MPP · KDNMT3A PWWP10 / 590Unassessed—
9MPP · MDNMT3A PWWP10 / 590Unassessed—
9PRW · ADNMT3A PWWP10 / 590Unassessed—
9PRW · DDNMT3A PWWP159 / 590Unassessed—
9Q7U · MDNMT3A PWWP159 / 590Unassessed—
9Q7U · NDNMT3A PWWP159 / 590Unassessed—
9Y4P · UDNMT3A PWWP159 / 590Unassessed—
9Y4P · VDNMT3A PWWP159 / 590Unassessed—
9Y4P · YDNMT3A PWWP10 / 590Unassessed—
9Y4P · ZDNMT3A PWWP10 / 590Unassessed—
Source bytes, methods and provenance

Detailed atom completeness only for the three packaged original-coordinate files; quality uses observed atom-name union across positive-occupancy alternate conformers, with per-alt differences retained. Missing entire residues are separate. Nonstandard amino-acid templates are unassessed. No density reinterpretation, receptor repair, docking or MD.

Coordinate SHA-256: 22b69191b56482b52a2cc8a8a6f517b143b90300e647239a8ef53c45b3c5873c

Source PDB: https://www.rcsb.org/structure/11OA. Original coordinate file: mmCIF. Original annotation and contact calculations are retained unchanged; the additional completeness assessment is PWWP_POCKET_QUALITY_1.0.0.

Methods and reproducible builder are included under analysis/phase5_pockets and scripts/build_phase5_pockets.py in the downloadable release.