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

Measured experimental coordinates · Phase 6C.1

29HH · NSD2 PWWP1

Source chain B, canonical annotation-core residues 222–286. ELECTRON MICROSCOPY · reported 4.2 Å. Original-coordinate SHA-256: d1d9bbfadba269f65d5b8dfcc21fdf9e6deedbdcec335be210174d043d4416b9.

65Core residues with observed coordinates (65 annotated)
19Missing 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
1650191900

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.

A1J20 · calculated observed ligand environment

Deposited instance PDB:29HH:LIG:H:A1J20:501:.. Closest calculated PWWP-region atom distance: 2.6632 Å. Five-Å native core contacts: 11; broader-Pfam contacts: 1; source-coordinate model 1.

Canonical residueRegionProtein atomLigand atomDistance (Å)Occupancy
230 VALnative annotation coreCBC453.98331.0 / 1.0
233 TYRnative annotation coreCD2C453.31451.0 / 1.0
243 ASPnative annotation coreOD1C165.23071.0 / 1.0
245 LEUnative annotation coreCBC115.94151.0 / 1.0
246 LEUnative annotation coreCD2O145.73811.0 / 1.0
263 HISnative annotation coreCD2C175.58741.0 / 1.0
266 PHEnative annotation coreCE2C433.5521.0 / 1.0
267 PHEnative annotation coreOC394.29921.0 / 1.0
268 GLYnative annotation coreCAO383.01631.0 / 1.0
269 ASPnative annotation coreOD1O382.79091.0 / 1.0
270 ALAnative annotation coreOC393.09571.0 / 1.0
271 PROnative annotation coreNC395.1451.0 / 1.0
272 GLUnative annotation coreOE2C413.03031.0 / 1.0
273 ARGnative annotation coreON212.66321.0 / 1.0
274 ALAnative annotation coreCAN213.38071.0 / 1.0
275 TRPnative annotation coreCD1C173.16051.0 / 1.0
321 GLNbroader pfam outside annotation coreNE2N363.84361.0 / 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 / 222VALYes————; occupancy ≥ 1.0
223 / 223GLYYes————; occupancy ≥ 1.0
224 / 224ASPYes————; occupancy ≥ 1.0
225 / 225LEUYes————; occupancy ≥ 1.0
226 / 226VALYes————; occupancy ≥ 1.0
227 / 227TRPYes————; occupancy ≥ 1.0
228 / 228SERYes————; occupancy ≥ 1.0
229 / 229LYSYes————; occupancy ≥ 1.0
230 / 230VALYes————; occupancy ≥ 1.0
231 / 231SERYes————; occupancy ≥ 1.0
232 / 232GLYYes————; occupancy ≥ 1.0
233 / 233TYRYes————; occupancy ≥ 1.0
234 / 234PROYes————; occupancy ≥ 1.0
235 / 235TRPYes————; occupancy ≥ 1.0
236 / 236TRPYes————; occupancy ≥ 1.0
237 / 237PROYes————; occupancy ≥ 1.0
238 / 238CYSYes————; occupancy ≥ 1.0
239 / 239METYes————; occupancy ≥ 1.0
240 / 240VALYes————; occupancy ≥ 1.0
241 / 241SERYes————; occupancy ≥ 1.0
242 / 242ALAYes————; occupancy ≥ 1.0
243 / 243ASPYes————; occupancy ≥ 1.0
244 / 244PROYes————; occupancy ≥ 1.0
245 / 245LEUYes————; occupancy ≥ 1.0
246 / 246LEUYes————; occupancy ≥ 1.0
247 / 247HISYes————; occupancy ≥ 1.0
248 / 248SERYes————; occupancy ≥ 1.0
249 / 249TYRYes————; occupancy ≥ 1.0
250 / 250THRYes————; occupancy ≥ 1.0
251 / 251LYSYes————; occupancy ≥ 1.0
252 / 252LEUYes————; occupancy ≥ 1.0
253 / 253LYSYes————; occupancy ≥ 1.0
254 / 254GLYYes————; occupancy ≥ 1.0
255 / 255GLNYes—CD, CG, NE2, OE1CD, CG, NE2, OE1—; occupancy ≥ 1.0
256 / 256LYSYes—CB, CD, CE, CG, NZCB, CD, CE, CG, NZ—; occupancy ≥ 1.0
257 / 257LYSYes—CD, CE, CG, NZCD, CE, CG, NZ—; occupancy ≥ 1.0
258 / 258SERYes—CB, OGCB, OG—; occupancy ≥ 1.0
259 / 259ALAYes————; occupancy ≥ 1.0
260 / 260ARGYes————; occupancy ≥ 1.0
261 / 261GLNYes————; occupancy ≥ 1.0
262 / 262TYRYes————; occupancy ≥ 1.0
263 / 263HISYes————; occupancy ≥ 1.0
264 / 264VALYes————; occupancy ≥ 1.0
265 / 265GLNYes————; occupancy ≥ 1.0
266 / 266PHEYes————; occupancy ≥ 1.0
267 / 267PHEYes————; occupancy ≥ 1.0
268 / 268GLYYes————; occupancy ≥ 1.0
269 / 269ASPYes————; occupancy ≥ 1.0
270 / 270ALAYes————; occupancy ≥ 1.0
271 / 271PROYes————; occupancy ≥ 1.0
272 / 272GLUYes————; occupancy ≥ 1.0
273 / 273ARGYes————; occupancy ≥ 1.0
274 / 274ALAYes————; occupancy ≥ 1.0
275 / 275TRPYes————; occupancy ≥ 1.0
276 / 276ILEYes————; occupancy ≥ 1.0
277 / 277PHEYes————; occupancy ≥ 1.0
278 / 278GLUYes————; occupancy ≥ 1.0
279 / 279LYSYes————; occupancy ≥ 1.0
280 / 280SERYes————; occupancy ≥ 1.0
281 / 281LEUYes————; occupancy ≥ 1.0
282 / 282VALYes————; occupancy ≥ 1.0
283 / 283ALAYes————; occupancy ≥ 1.0
284 / 284PHEYes————; occupancy ≥ 1.0
285 / 285GLUYes—CD, CG, OE1, OE2CD, CG, OE1, OE2—; occupancy ≥ 1.0
286 / 286GLYYes————; occupancy ≥ 1.0

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