Experimental structure
6XCG
Histone-lysine N-methyltransferase NSD2-PWWP1 with compound UNC6934
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 |
| NSD2 | C | ["C"] | UP:O96028:PWWP1 | 63 / 65 | 0 |
Chemical identity
Chemical components and interpretation
| CCD | Name | Role | Full InChIKey |
|---|---|---|---|
| V01 | N-cyclopropyl-3-oxo-N-({4-[(pyrimidin-4-yl)carbamoyl]phenyl}methyl)-3,4-dihydro-2H-1,4-benzoxazine-7-carboxamide | experimentally studied ligand functional | KOZGEDUWAQFVAV-UHFFFAOYSA-N |
| UNX | UNKNOWN ATOM OR ION | unknown chemical component unknown | Unresolved |
| HOH | WATER | solvent incidental | XLYOFNOQVPJJNP-UHFFFAOYSA-N |
Geometry, with defined scope
Independent contact evidence
Inspect 10 retained contact records
| CCD / instance | Protein chain | Contact class | Minimum core / broader domain distance Å |
|---|---|---|---|
| UNX · F | NSD2 · B | native annotation core contact | 3.9 / 2.69 |
| UNX · G | NSD2 · B | broader Pfam PWWP contact | 6.02 / 2.95 |
| UNX · H | NSD2 · B | broader Pfam PWWP contact | 6.72 / 2.79 |
| UNX · H | NSD2 · C | broader Pfam PWWP contact | 7.56 / 3.52 |
| UNX · J | NSD2 · C | native annotation core contact | 3.42 / 3.42 |
| UNX · K | NSD2 · C | broader Pfam PWWP contact | 5.51 / 3.01 |
| UNX · L | NSD2 · C | native annotation core contact | 2.56 / 2.56 |
| V01 · D | NSD2 · A | native annotation core contact | 2.86 / 2.86 |
| V01 · E | NSD2 · B | native annotation core contact | 2.91 / 2.88 |
| V01 · I | NSD2 · C | native annotation core contact | 2.89 / 2.79 |
Biological partners
No curated macromolecular partner record.
Source interpretation
Focused scientific audit
retain with stated interpretation/caveats. Co-crystal supported for UNC6934/V01; chain C omits256–257. UNX remains unresolved and must not be promoted to a functional ligand.