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.
Phase 6C historical atom / receptor assessment Phase 6C.1 full-atom experimental quality inventory
Full-coordinate Phase 6C.1 atom and ligand environment assessment
Load the checksum-verified original coordinates to explore the selected chain and ligand.
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Atom completeness · selected chain and annotation core
What can these coordinates support?
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
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 residue | Deposited residue | Scope | Minimum distance | Atom quality | Inspect |
|---|---|---|---|---|---|
| CYS 1098 | I:1098 · entity 419 · label K | outside PWWP annotations | 2.3839 Å | Unassessed | |
| ASN 1099 | I:1099 · entity 420 · label K | outside PWWP annotations | 4.1972 Å | Unassessed | |
| CYS 1100 | I:1100 · entity 421 · label K | outside PWWP annotations | 2.3736 Å | Unassessed | |
| CYS 1108 | I:1108 · entity 429 · label K | outside PWWP annotations | 3.1572 Å | Unassessed | |
| CYS 1114 | I:1114 · entity 435 · label K | outside PWWP annotations | 2.3564 Å | Unassessed | |
| LEU 1115 | I:1115 · entity 436 · label K | outside PWWP annotations | 4.5268 Å | Unassessed | |
| ASN 1116 | I:1116 · entity 437 · label K | outside PWWP annotations | 4.8985 Å | Unassessed | |
| CYS 1123 | I:1123 · entity 444 · label K | outside PWWP annotations | 4.7786 Å | Unassessed |
Identity, native target and exact site links
Linked experimental assays
| Measured preparation | Method / endpoint | Original observation | Tested construct | Evidence |
|---|---|---|---|---|
| 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
| PDB / chain | Domain | Core Cα coverage | PWWP-contact ligand instances | Atom assessment | Missing core heavy atoms |
|---|---|---|---|---|---|
| 2DAQ · A | NSD3 PWWP2 | 63 / 63 | 0 | Unassessed | — |
| 4RXJ · A | NSD3 PWWP2 | 63 / 63 | 6 | Unassessed | — |
| 7CRP · K | NSD3 PWWP2 | 0 / 63 | 0 | Unassessed | — |
| 7CRQ · K | NSD3 PWWP2 | 0 / 63 | 0 | Unassessed | — |
| 7CRQ · L | NSD3 PWWP2 | 0 / 63 | 0 | Unassessed | — |
| 7CRR · K | NSD3 PWWP2 | 0 / 63 | 0 | Unassessed | — |
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: ef981cf1834da5726efb4e02ec23dbccea1a2bc4475f1adbcad094fb4f5349c1
Source PDB: https://www.rcsb.org/structure/7CRQ. 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.