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.

BRPF3 PWWP13PFS · chain BPWWP_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

3PFS · ZN

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Atom completeness · selected chain and annotation core

What can these coordinates support?

Export selected evidence
Select a source-recorded contacting residue to inspect its deposited numbering.

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

3 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 1084B:1084 · entity 47 · label Bannotation core2.1314 ÅUnassessed
PHE 1138B:1138 · entity 101 · label Bannotation core3.7336 ÅUnassessed
GLN 1146B:1146 · entity 109 · label Bannotation core3.7967 ÅUnassessed

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
2 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
3PFS · ABRPF3 PWWP184 / 842Unassessed—
3PFS · BBRPF3 PWWP184 / 841Unassessed—
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: b4c99ae57b91da3164d714f3db6c7466119e64c40dfd8e260cd338d21d5a3ab8

Source PDB: https://www.rcsb.org/structure/3PFS. 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.