Experimental structure
9FOC
Crystal structure of the PWWP1 domain of NSD2 bound by compound 11.
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 | 65 / 65 | 0 |
Chemical identity
Chemical components and interpretation
| CCD | Name | Role | Full InChIKey |
|---|---|---|---|
| A1IFS | (2S)-1-[4-[[(3R)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide | experimentally studied ligand functional | FPDVOQXTUVFQHW-KGLIPLIRSA-N |
| A1IEG | (2S)-1-[4-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]methyl-methyl-amino]-6-methyl-pyrimidin-2-yl]-N-methyl-pyrrolidine-2-carboxamide | experimentally studied ligand functional | FPDVOQXTUVFQHW-KBPBESRZSA-N |
| HOH | WATER | solvent incidental | XLYOFNOQVPJJNP-UHFFFAOYSA-N |
Geometry, with defined scope
Independent contact evidence
Inspect 4 retained contact records
| CCD / instance | Protein chain | Contact class | Minimum core / broader domain distance Å |
|---|---|---|---|
| A1IEG · D | NSD2 · A | native annotation core contact | 2.9 / 2.9 |
| A1IEG · E | NSD2 · B | native annotation core contact | 2.91 / 2.91 |
| A1IFS · C | NSD2 · A | native annotation core contact | 2.91 / 2.91 |
| A1IFS · F | NSD2 · B | native annotation core contact | 2.89 / 2.89 |
Biological partners
No curated macromolecular partner record.
Source interpretation
Focused scientific audit
retain with stated interpretation/caveats. Co-crystal supported; two stereochemical CCD components A1IEG/A1IFS contact the same core pocket. Keep component identities and mixed/alternative model context distinct from independent assay counts.