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

Experimental structure

9GRV

Crystal structure of HRP-2 PWWP domain in complex with compound 37

Co-Crystals PWWP coordinates observed X-RAY DIFFRACTION

Original coordinates

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PDB deposition
9GRV Deposited model
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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

3 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
HDGFL2A["A"]UP:Q7Z4V5:PWWP158 / 580
HDGFL2B["B"]UP:Q7Z4V5:PWWP158 / 580
HDGFL2C["C"]UP:Q7Z4V5:PWWP158 / 580

Chemical identity

Chemical components and interpretation

4 component records
CCDNameRoleFull InChIKey
HHN5-bromanylpyrimidineexperimentally studied ligand
functional
GYCPLYCTMDTEPU-UHFFFAOYSA-N
SO4SULFATE IONion/additive
incidental
QAOWNCQODCNURD-UHFFFAOYSA-L
DMSDIMETHYL SULFOXIDEsolvent
incidental
IAZDPXIOMUYVGZ-UHFFFAOYSA-N
HOHWATERsolvent
incidental
XLYOFNOQVPJJNP-UHFFFAOYSA-N

Geometry, with defined scope

Independent contact evidence

Inspect 9 retained contact records
CCD / instanceProtein chainContact classMinimum core / broader domain distance Å
DMS · HHDGFL2 · Anative annotation core contact3.64 / 3.64
DMS · HHDGFL2 · Bnative annotation core contact2.87 / 2.87
DMS · JHDGFL2 · Cnative annotation core contact2.64 / 2.64
HHN · DHDGFL2 · Anative annotation core contact2.56 / 2.56
SO4 · EHDGFL2 · Abroader Pfam PWWP contact5.67 / 2.77
SO4 · FHDGFL2 · Abroader Pfam PWWP contact5.48 / 3.05
SO4 · GHDGFL2 · Anative annotation core contact2.68 / 2.68
SO4 · IHDGFL2 · Bnative annotation core contact2.78 / 2.78
SO4 · EHDGFL2 · Cbroader Pfam PWWP contact9.7 / 3.16

Biological partners

No curated macromolecular partner record.

Source interpretation

Focused scientific audit

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This entry was included in all-entry coordinate/contact calculations but not in the 36-entry focused structural sample.