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

Evidence explorer

Structure and assay evidence

Follow HDGFL2 from a deposited contact to its preparation, assay and primary source.

Complete query JSON
9exact contact–assay rows
3assay rows without an exact contact link
4preparation records

9 rows join a geometric contact to an assay on the same native target/domain. Multiple rows may describe the same ligand, structure or measurement. Chain-contact rank is geometric and is not a biological-site assignment.

PDB and chainDomain / componentContact evidencePreparation and measurementAssay construct and source
8Z6C
Chain A
PWWP1 · A1D73
INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N
native annotation core contact
Core 2.49 Å
Broader 2.49 Å
Distance rank 1; multiple chains contact this component
BPP
NMR chemical-shift perturbation Kd
= 7.0 µM
Preparation identity
1–93
Primary evidence

Intermediate-exchange NMR fit has large fitting error; ITC cross-validation reported, exact separate ITC number not extracted.

Link interpretation

same exact chemical identity and native domain; construct equivalence not assumed

8Z6C
Chain C
PWWP1 · A1D73
INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N
native annotation core contact
Core 4.81 Å
Broader 2.98 Å
Distance rank 2; multiple chains contact this component
BPP
NMR chemical-shift perturbation Kd
= 7.0 µM
Preparation identity
1–93
Primary evidence

Intermediate-exchange NMR fit has large fitting error; ITC cross-validation reported, exact separate ITC number not extracted.

Link interpretation

same exact chemical identity and native domain; construct equivalence not assumed

8Z6C
Chain B
PWWP1 · A1D73
INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N
native annotation core contact
Core 2.49 Å
Broader 2.49 Å
Distance rank 1
BPP
NMR chemical-shift perturbation Kd
= 7.0 µM
Preparation identity
1–93
Primary evidence

Intermediate-exchange NMR fit has large fitting error; ITC cross-validation reported, exact separate ITC number not extracted.

Link interpretation

same exact chemical identity and native domain; construct equivalence not assumed

8Z6C
Chain C
PWWP1 · A1D73
INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N
native annotation core contact
Core 2.56 Å
Broader 2.56 Å
Distance rank 1
BPP
NMR chemical-shift perturbation Kd
= 7.0 µM
Preparation identity
1–93
Primary evidence

Intermediate-exchange NMR fit has large fitting error; ITC cross-validation reported, exact separate ITC number not extracted.

Link interpretation

same exact chemical identity and native domain; construct equivalence not assumed

8Z6O
Chain B
PWWP1 · QMR
INCHIKEY:JQSHBVHOMNKWFT-DTORHVGOSA-N
native annotation core contact
Core 2.81 Å
Broader 2.81 Å
Distance rank 1
varenicline
NMR chemical-shift perturbation Kd
= 250.0 µM
Preparation identity
1–93
Primary evidence

Full assay buffer, temperature and incubation metadata not transcribed; null means uncurated, not absent.

Link interpretation

same exact chemical identity and native domain; construct equivalence not assumed

9G94
Chain A
PWWP1 · A1D73
INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N
native annotation core contact
Core 2.26 Å
Broader 2.26 Å
Distance rank 1
BPP
NMR chemical-shift perturbation Kd
= 7.0 µM
Preparation identity
1–93
Primary evidence

Intermediate-exchange NMR fit has large fitting error; ITC cross-validation reported, exact separate ITC number not extracted.

Link interpretation

same exact chemical identity and native domain; construct equivalence not assumed

9G94
Chain A
PWWP1 · A1D73
INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N
native annotation core contact
Core 4.92 Å
Broader 4.92 Å
Distance rank 2; multiple chains contact this component
BPP
NMR chemical-shift perturbation Kd
= 7.0 µM
Preparation identity
1–93
Primary evidence

Intermediate-exchange NMR fit has large fitting error; ITC cross-validation reported, exact separate ITC number not extracted.

Link interpretation

same exact chemical identity and native domain; construct equivalence not assumed

9G94
Chain B
PWWP1 · A1D73
INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N
native annotation core contact
Core 2.49 Å
Broader 2.49 Å
Distance rank 1; multiple chains contact this component
BPP
NMR chemical-shift perturbation Kd
= 7.0 µM
Preparation identity
1–93
Primary evidence

Intermediate-exchange NMR fit has large fitting error; ITC cross-validation reported, exact separate ITC number not extracted.

Link interpretation

same exact chemical identity and native domain; construct equivalence not assumed

9G94
Chain C
PWWP1 · A1D73
INCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N
native annotation core contact
Core 2.54 Å
Broader 2.54 Å
Distance rank 1
BPP
NMR chemical-shift perturbation Kd
= 7.0 µM
Preparation identity
1–93
Primary evidence

Intermediate-exchange NMR fit has large fitting error; ITC cross-validation reported, exact separate ITC number not extracted.

Link interpretation

same exact chemical identity and native domain; construct equivalence not assumed

HDGFL2 · Additional published evidence

Assays without an exact contact link

3 records

These observations remain usable at their stated preparation and assay level. A negative result, missing co-crystal, unresolved preparation or mixed stereochemistry can prevent an exact contact link.

PreparationResultIdentity statusSource
H4K20me3 peptide / trimethyllysine monomerFluorescence polarization binding
Very weak; too weak to fit reliably
defined modified peptide sequence not monomer identityPMID:21720545
Additional uncertainty not recorded in this snapshot.
H4K20me3 peptide / trimethyllysine monomerX-ray structural association; no pharmacological activity assigned
No source-checked numeric value
defined modified peptide sequence not monomer identityPMID:21720545
M3L has a polymer residue identity. 3QBY structural occupancy coexists with very weak unfittable solution affinity in Table 1.
NbH10SPR apparent Kd
= 81.2 nM ± 1.8
named macromolecule no full sequence identityPMID:42194065
Additional uncertainty not recorded in this snapshot.

HDGFL2 · Identity scope

Preparation identities and modeled candidates

4 records
PreparationIdentity statusExact identityModeled candidates
BPPexact single CCD identityINCHIKEY:LKKNQJJSEMQTHQ-UHFFFAOYSA-N[]
Complete deposited identity retained; no connectivity-only or name-only merge.
H4K20me3 peptide / trimethyllysine monomerdefined modified peptide sequence not monomer identityUnresolved at exact-identity level[]
M3L is one covalently linked residue, not the assayed peptide chemical identity.
NbH10named macromolecule no full sequence identityUnresolved at exact-identity level[]
Complete deposited identity retained; no connectivity-only or name-only merge.
vareniclineexact single CCD identityINCHIKEY:JQSHBVHOMNKWFT-DTORHVGOSA-N[]
Complete deposited identity retained; no connectivity-only or name-only merge.