Experimental structure
9EXW
Crystal structure of the PWWP1 domain of NSD2 bound by compound 17.
Original coordinates
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Original coordinates are available from a locally verified historical archive or the bundled source and load on request.
Coordinate coverage
Mapped chains
Label and author chain identifiers are kept separately. Observed Cα counts refer to each mapped annotation core.
| Protein | Label chain | Author chain | Domain | Observed Cα / core | Observed substitutions |
|---|---|---|---|---|---|
| NSD2 | A | ["A"] | UP:O96028:PWWP1 | 65 / 65 | 0 |
| NSD2 | B | ["B"] | UP:O96028:PWWP1 | 61 / 65 | 0 |
Chemical identity
Chemical components and interpretation
| CCD | Name | Role | Full InChIKey |
|---|---|---|---|
| EDO | 1,2-ETHANEDIOL | cryoprotectant/additive incidental | LYCAIKOWRPUZTN-UHFFFAOYSA-N |
| A1H7X | 7-[3-methyl-5-[2-methyl-5-[(pyridin-3-ylamino)methyl]phenyl]imidazol-4-yl]-4~{H}-1,4-benzoxazin-3-one | experimentally studied ligand functional | APUAYMXUHLOPLQ-UHFFFAOYSA-N |
| HOH | WATER | solvent incidental | XLYOFNOQVPJJNP-UHFFFAOYSA-N |
Geometry, with defined scope
Independent contact evidence
Inspect 7 retained contact records
| CCD / instance | Protein chain | Contact class | Minimum core / broader domain distance Å |
|---|---|---|---|
| A1H7X · E | NSD2 · A | native annotation core contact | 2.81 / 2.81 |
| A1H7X · E | NSD2 · B | broader Pfam PWWP contact | 6.52 / 3.36 |
| A1H7X · F | NSD2 · B | native annotation core contact | 2.99 / 2.99 |
| EDO · C | NSD2 · A | native annotation core contact | 3.25 / 3.25 |
| EDO · D | NSD2 · A | native annotation core contact | 3.02 / 3.02 |
| EDO · C | NSD2 · B | broader Pfam PWWP contact | 11.1 / 3.58 |
| EDO · D | NSD2 · B | broader Pfam PWWP contact | 8.62 / 2.98 |
Biological partners
No curated macromolecular partner record.
Source interpretation
Focused scientific audit
This entry was included in all-entry coordinate/contact calculations but not in the 36-entry focused structural sample.