STRUCTURAL BIOLOGY & CHEMICAL EVIDENCEDataset v1.2 · Phase 6D · Comparative experimental recognition environments

Experimental structure

9KNB

NSD2-PWWP1 domain bound with compound 9

Co-Crystals PWWP coordinates observed X-RAY DIFFRACTION

Original coordinates

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PDB deposition
9KNB Deposited model
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Coordinate coverage

Mapped chains

1 chain / domain rows

Label and author chain identifiers are kept separately. Observed Cα counts refer to each mapped annotation core.

ProteinLabel chainAuthor chainDomainObserved Cα / coreObserved substitutions
NSD2A["A"]UP:O96028:PWWP159 / 650

Chemical identity

Chemical components and interpretation

3 component records
CCDNameRoleFull InChIKey
EPE4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACIDbuffer/additive
incidental
JKMHFZQWWAIEOD-UHFFFAOYSA-N
A1EF7N-(2-methoxyphenyl)-2-selanyl-benzamideexperimentally studied covalent ligand
functional
DGVCWDGVOWMWNP-UHFFFAOYSA-N
HOHWATERsolvent
incidental
XLYOFNOQVPJJNP-UHFFFAOYSA-N

Geometry, with defined scope

Independent contact evidence

Inspect 2 retained contact records
CCD / instanceProtein chainContact classMinimum core / broader domain distance Å
A1EF7 · CNSD2 · Anative annotation core contact3.13 / 2.23
EPE · BNSD2 · Anative annotation core contact2.93 / 2.93

Biological partners

No curated macromolecular partner record.

Source interpretation

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retain with stated interpretation/caveats. Co-crystal supported; canonical A259 has only C/O modeled, causing60 any-heavy-atom versus 59Cα residues. Coverage denominators must be explicit.