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

Experimental structure

9S83

Crystal structure of de novo designed binder JUBO4 and the LEDGF PWWP domain

Complexes PWWP coordinates observed X-RAY DIFFRACTION

Original coordinates

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PDB deposition
9S83 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
PSIP1B["B"]UP:O75475:PWWP163 / 640

Chemical identity

Chemical components and interpretation

2 component records
CCDNameRoleFull InChIKey
EDO1,2-ETHANEDIOLcryoprotectant/additive
incidental
LYCAIKOWRPUZTN-UHFFFAOYSA-N
HOHWATERsolvent
incidental
XLYOFNOQVPJJNP-UHFFFAOYSA-N

Geometry, with defined scope

Independent contact evidence

Inspect 1 retained contact records
CCD / instanceProtein chainContact classMinimum core / broader domain distance Å
EDO · CPSIP1 · Bnative annotation core contact2.52 / 2.52

Biological partners

JUBO4 · protein/peptide · label chains ["A"]

Source interpretation

Focused scientific audit

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retain with stated interpretation/caveats. Complex supported by designed protein binder and PSIP1 chain B with residues 2–64 observed. Retain engineered-binder context; residue 1 is absent.