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

Evidence explorer

Structure and assay evidence

Follow NSD3 from a deposited contact to its preparation, assay and primary source.

Complete query JSON
NSD3 protein record
2exact contact–assay rows
7assay rows without an exact contact link
8preparation records

2 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
6G2O
Chain A		PWWP1 · EJE
INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N		native annotation core contact
Core 2.82 Å
Broader 2.82 Å
Distance rank 1		BI-9321
SPR Kd
= 166.0 nM
Preparation identity		263–398
Primary evidence

Primary replicate conflict: Figure 3a states n=3 independent experiments, while Supplementary Table 7 states SPR n=4; both report SD. Indexed primary SPR Methods supply residues 263–398 and buffer, but the full PDF was unavailable. Exact assay temperature, mutations and per-dose contact times remain not inspected.

Link interpretation

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

6G2O
Chain A		PWWP1 · EJE
INCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N		native annotation core contact
Core 2.82 Å
Broader 2.82 Å
Distance rank 1		BI-9321
NanoBRET IC50
= 1.2 µM
Preparation identity		Uncurated boundaries
Primary evidence

The value 1.2 ± 0.06 uM, SD and n=3 were verified in the actual Supplementary Table 7. Full NanoBRET construct and conditions were not inspected. The 1.4 uM direct tracer-engagement endpoint is separate from this histone PPI assay.

Link interpretation

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

NSD3 · Additional published evidence

Assays without an exact contact link

7 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
UNC6934SPR Kd counter-screen
> 30.0 µM		exact single CCD identityPMID:40959233
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
compound 11 (Collie 2025)SPR Kd counter-screen
No binding		assayed stereoisomeric mixture not single chemical identityPMID:40959233
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
compound 12 (Collie 2025)SPR Kd counter-screen
No binding		paper label exact identity unresolvedPMID:40959233
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
compound 13 (Collie 2025)SPR Kd counter-screen
No binding		paper label exact identity unresolvedPMID:40959233
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
compound 5 (Collie 2025)SPR Kd counter-screen
> 30.0 µM		assayed stereoisomeric mixture not single chemical identityPMID:40959233
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
compound 6 (Collie 2025)SPR Kd counter-screen
> 30.0 µM		paper label exact identity unresolvedPMID:40959233
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.
compound 7 (Collie 2025)SPR Kd counter-screen
> 30.0 µM		exact single CCD identityPMID:40959233
Assay-specific buffer and temperature verified from SI page 9; tag/construct from Table S2. Exact per-row kinetic-versus-steady-state fit choice and exact n beyond table footnote not specified. Chemical preparation identity remains as curated.

NSD3 · Identity scope

Preparation identities and modeled candidates

8 records
PreparationIdentity statusExact identityModeled candidates
BI-9321exact single CCD identityINCHIKEY:WOAOENGFAAUUGT-UHFFFAOYSA-N[]
Complete deposited identity retained; no connectivity-only or name-only merge.
UNC6934exact single CCD identityINCHIKEY:KOZGEDUWAQFVAV-UHFFFAOYSA-N[]
Complete deposited identity retained; no connectivity-only or name-only merge.
compound 11 (Collie 2025)assayed stereoisomeric mixture not single chemical identityUnresolved at exact-identity level["INCHIKEY:FPDVOQXTUVFQHW-KBPBESRZSA-N", "INCHIKEY:FPDVOQXTUVFQHW-KGLIPLIRSA-N"]
Assayed diastereomeric preparation: pyrrolidine 2S fixed and sulfolane center racemic in the SI name. A1IEG/A1IFS are modeled candidates in 9FOC; mixture affinity is not assigned to either pure stereoisomer. Composition ratio and fraction-to-CCD assignment remain unresolved.
compound 12 (Collie 2025)paper label exact identity unresolvedUnresolved at exact-identity level[]
Separated compound 11 fraction labelled isomer 1; retention time 7.1 min, reported dr 98.84:1.16. Absolute sulfolane assignment and exact CCD mapping remain unresolved; no affinity transfer from compound 11.
compound 13 (Collie 2025)paper label exact identity unresolvedUnresolved at exact-identity level[]
Separated compound 11 fraction labelled isomer 2; retention time 8.2 min, reported dr 97.10:2.90. Absolute sulfolane assignment and exact CCD mapping remain unresolved; no affinity transfer from compound 11.
compound 5 (Collie 2025)assayed stereoisomeric mixture not single chemical identityUnresolved at exact-identity level[]
Racemate 5 is distinct from separated enantiomers 6 and 7.
compound 6 (Collie 2025)paper label exact identity unresolvedUnresolved at exact-identity level[]
Complete deposited identity retained; no connectivity-only or name-only merge.
compound 7 (Collie 2025)exact single CCD identityINCHIKEY:HHACEXLLNHJLFT-INIZCTEOSA-N[]
Complete deposited identity retained; no connectivity-only or name-only merge.