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

Measured experimental coordinates · Phase 6C.1

9EXW · NSD2 PWWP1

Source chain A, canonical annotation-core residues 222–286. X-RAY DIFFRACTION · reported 2.43 Å. Original-coordinate SHA-256: 5932fc10a492b4fa2d43f84d90f222053026ed6b35a587f3dbacd80e6f4297f7.

65Core residues with observed coordinates (65 annotated)
8Missing heavy side-chain atoms in observed core
1Experimental models evaluated
1Source-supported ligand environments

Open deposited-coordinate molecular viewer Protein/domain context Original PDB entry

Model-aware structural assessment

Counts concern the annotated PWWP core. Different NMR models are evaluated independently, without averaging their coordinates into an artificial model.

ModelCore residues observedMissing backboneMissing side-chain (union)Missing side-chain (consistent conformer)Partial occupancy residuesUnassessable chemistry
16508800

Experimental ligand environments

Only separately source-classified research ligands are listed. Native annotation-core contacts and broader Pfam-fold contacts are identified separately. A simple distance is not an experimental affinity or density-quality score.

A1H7X · calculated observed ligand environment

Deposited instance PDB:9EXW:LIG:E:A1H7X:403:.. Closest calculated PWWP-region atom distance: 2.8133 Å. Five-Å native core contacts: 13; broader-Pfam contacts: 2; source-coordinate model 1.

Limitations: multi chain environment source annotation

Canonical residueRegionProtein atomLigand atomDistance (Å)Occupancy
228 SERnative annotation coreOC155.26271.0 / 1.0
230 VALnative annotation coreCG2C143.33971.0 / 1.0
233 TYRnative annotation coreCD2C143.37591.0 / 1.0
234 PROnative annotation coreOC154.44991.0 / 1.0
236 TRPnative annotation coreCZ2C193.58591.0 / 1.0
266 PHEnative annotation coreCBO13.10881.0 / 1.0
267 PHEnative annotation coreOC223.77021.0 / 1.0
268 GLYnative annotation coreCAO3.23821.0 / 1.0
269 ASPnative annotation coreNO3.25751.0 / 1.0
270 ALAnative annotation coreOC212.81331.0 / 1.0
271 PROnative annotation coreCAC223.83911.0 / 1.0
272 GLUnative annotation coreOE1C33.38211.0 / 1.0
273 ARGnative annotation coreOC3.83151.0 / 1.0
274 ALAnative annotation coreCBC3.85621.0 / 1.0
276 ILEnative annotation coreCD1C5.83441.0 / 1.0
318 LEUbroader pfam outside annotation coreCD1C193.88671.0 / 1.0
321 GLNbroader pfam outside annotation coreOE1N42.86461.0 / 1.0

Residue-level coordinate and atom completeness

"Missing" applies only to residues with observed atoms and supported chemical templates. Unobserved residues are reported separately. Alternate-conformer union presence is distinct from a single internally consistent conformer.

Canonical / entity positionComponentObservedMissing backboneMissing side-chain (union)Missing side-chain (consistent)Alt & occupancy
222 / 19VALYes————; occupancy ≥ 1.0
223 / 20GLYYes————; occupancy ≥ 1.0
224 / 21ASPYes————; occupancy ≥ 1.0
225 / 22LEUYes————; occupancy ≥ 1.0
226 / 23VALYes————; occupancy ≥ 1.0
227 / 24TRPYes————; occupancy ≥ 1.0
228 / 25SERYes————; occupancy ≥ 1.0
229 / 26LYSYes————; occupancy ≥ 1.0
230 / 27VALYes————; occupancy ≥ 1.0
231 / 28SERYes————; occupancy ≥ 1.0
232 / 29GLYYes————; occupancy ≥ 1.0
233 / 30TYRYes————; occupancy ≥ 1.0
234 / 31PROYes————; occupancy ≥ 1.0
235 / 32TRPYes————; occupancy ≥ 1.0
236 / 33TRPYes————; occupancy ≥ 1.0
237 / 34PROYes————; occupancy ≥ 1.0
238 / 35CYSYes————; occupancy ≥ 1.0
239 / 36METYes————; occupancy ≥ 1.0
240 / 37VALYes————; occupancy ≥ 1.0
241 / 38SERYes————; occupancy ≥ 1.0
242 / 39ALAYes————; occupancy ≥ 1.0
243 / 40ASPYes————; occupancy ≥ 1.0
244 / 41PROYes————; occupancy ≥ 1.0
245 / 42LEUYes————; occupancy ≥ 1.0
246 / 43LEUYes————; occupancy ≥ 1.0
247 / 44HISYes————; occupancy ≥ 1.0
248 / 45SERYes————; occupancy ≥ 1.0
249 / 46TYRYes————; occupancy ≥ 1.0
250 / 47THRYes————; occupancy ≥ 1.0
251 / 48LYSYes————; occupancy ≥ 1.0
252 / 49LEUYes————; occupancy ≥ 1.0
253 / 50LYSYes————; occupancy ≥ 1.0
254 / 51GLYYes————; occupancy ≥ 1.0
255 / 52GLNYes————; occupancy ≥ 1.0
256 / 53LYSYes————; occupancy ≥ 1.0
257 / 54LYSYes—CD, CE, CG, NZCD, CE, CG, NZ—; occupancy ≥ 1.0
258 / 55SERYes————; occupancy ≥ 1.0
259 / 56ALAYes————; occupancy ≥ 1.0
260 / 57ARGYes————; occupancy ≥ 1.0
261 / 58GLNYes————; occupancy ≥ 1.0
262 / 59TYRYes————; occupancy ≥ 1.0
263 / 60HISYes————; occupancy ≥ 1.0
264 / 61VALYes————; occupancy ≥ 1.0
265 / 62GLNYes————; occupancy ≥ 1.0
266 / 63PHEYes————; occupancy ≥ 1.0
267 / 64PHEYes————; occupancy ≥ 1.0
268 / 65GLYYes————; occupancy ≥ 1.0
269 / 66ASPYes————; occupancy ≥ 1.0
270 / 67ALAYes————; occupancy ≥ 1.0
271 / 68PROYes————; occupancy ≥ 1.0
272 / 69GLUYes————; occupancy ≥ 1.0
273 / 70ARGYes————; occupancy ≥ 1.0
274 / 71ALAYes————; occupancy ≥ 1.0
275 / 72TRPYes————; occupancy ≥ 1.0
276 / 73ILEYes————; occupancy ≥ 1.0
277 / 74PHEYes————; occupancy ≥ 1.0
278 / 75GLUYes————; occupancy ≥ 1.0
279 / 76LYSYes—CD, CE, CG, NZCD, CE, CG, NZ—; occupancy ≥ 1.0
280 / 77SERYes————; occupancy ≥ 1.0
281 / 78LEUYes————; occupancy ≥ 1.0
282 / 79VALYes————; occupancy ≥ 1.0
283 / 80ALAYes————; occupancy ≥ 1.0
284 / 81PHEYes————; occupancy ≥ 1.0
285 / 82GLUYes————; occupancy ≥ 1.0
286 / 83GLYYes————; occupancy ≥ 1.0

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