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.

Jasper PWWP16KCU · chain APWWP_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

6KCU · BTB

Drag to rotate · scroll to zoom · arrow keys rotate · + / − zoom · Home resets. Select a residue below to highlight its observed atoms.

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 · BTB

10 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
ALA 18A:18 · entity 12 · label Aannotation core4.8311 ÅUnassessed
VAL 20A:20 · entity 14 · label Aannotation core3.8089 ÅUnassessed
TYR 23A:23 · entity 17 · label Aannotation core3.4290 ÅUnassessed
PRO 24A:24 · entity 18 · label Aannotation core4.1444 ÅUnassessed
TRP 26A:26 · entity 20 · label Aannotation core3.3867 ÅUnassessed
PHE 43A:43 · entity 37 · label Aannotation core3.4553 ÅUnassessed
THR 46A:46 · entity 40 · label Aannotation core2.6852 ÅUnassessed
GLU 48A:48 · entity 42 · label Aannotation core2.6311 ÅUnassessed
THR 49A:49 · entity 43 · label Aannotation core3.8949 ÅUnassessed
ALA 50A:50 · entity 44 · label Aannotation core3.3627 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
25 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
6KCO · AJasper PWWP152 / 520Unassessed—
6KCO · BJasper PWWP152 / 520Unassessed—
6KCO · CJasper PWWP150 / 520Unassessed—
6KCO · DJasper PWWP151 / 520Unassessed—
6KCO · EJasper PWWP151 / 520Unassessed—
6KCO · FJasper PWWP151 / 520Unassessed—
6KCO · GJasper PWWP150 / 520Unassessed—
6KCO · HJasper PWWP150 / 520Unassessed—
6KCO · IJasper PWWP150 / 520Unassessed—
6KCO · JJasper PWWP150 / 520Unassessed—
6KCO · KJasper PWWP150 / 520Unassessed—
6KCO · LJasper PWWP150 / 520Unassessed—
6KCO · MJasper PWWP152 / 520Unassessed—
6KCO · NJasper PWWP151 / 520Unassessed—
6KCO · OJasper PWWP150 / 520Unassessed—
6KCO · PJasper PWWP150 / 520Unassessed—
6KCP · AJasper PWWP152 / 520Unassessed—
6KCP · BJasper PWWP152 / 520Unassessed—
6KCP · CJasper PWWP150 / 520Unassessed—
6KCP · EJasper PWWP152 / 520Unassessed—
6KCU · AJasper PWWP152 / 521Unassessed—
6KD6 · AJasper PWWP150 / 520Unassessed—
6KD6 · BJasper PWWP151 / 520Unassessed—
6KD6 · CJasper PWWP150 / 520Unassessed—
6KD6 · DJasper PWWP149 / 520Unassessed—
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: 5726bdbb11bcd1a0bee30638057f898cfabc80ee54d0f9cafbd6050861f46f8b

Source PDB: https://www.rcsb.org/structure/6KCU. 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.