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

Measured experimental coordinates · Phase 6C.1

9FOC · NSD2 PWWP1

Source chain A, canonical annotation-core residues 222–286. X-RAY DIFFRACTION · reported 1.618 Å. Original-coordinate SHA-256: 8ae5d68a73d09d1007d3171e7649074a9b67184d587435cc50eba2241f68c269.

65Core residues with observed coordinates (65 annotated)
7Missing heavy side-chain atoms in observed core
1Experimental models evaluated
2Source-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
16507700

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.

A1IFS · calculated observed ligand environment

Deposited instance PDB:9FOC:LIG:C:A1IFS:401:.. Closest calculated PWWP-region atom distance: 2.9054 Å. Five-Å native core contacts: 12; broader-Pfam contacts: 2; source-coordinate model 1.

Limitations: partial occupancy contact atoms; representative alt conformers selected

Canonical residueRegionProtein atomLigand atomDistance (Å)Occupancy
230 VALnative annotation coreCG1C84.25751.0 / 0.5
233 TYRnative annotation coreOHN33.32131.0 / 0.5
234 PROnative annotation coreOC115.40171.0 / 0.5
236 TRPnative annotation coreCZ2O23.48141.0 / 0.5
266 PHEnative annotation coreCBC143.61631.0 / 0.5
267 PHEnative annotation coreOO23.74771.0 / 0.5
268 GLYnative annotation coreCAO23.42541.0 / 0.5
269 ASPnative annotation coreNO23.07241.0 / 0.5
270 ALAnative annotation coreNO12.93751.0 / 0.5
271 PROnative annotation coreOC3.87331.0 / 0.5
272 GLUnative annotation coreOE1N2.90541.0 / 0.5
273 ARGnative annotation coreOC84.24741.0 / 0.5
274 ALAnative annotation coreCBC84.04751.0 / 0.5
276 ILEnative annotation coreCD1C85.92981.0 / 0.5
318 LEUbroader pfam outside annotation coreCD1C124.55231.0 / 0.5
321 GLNbroader pfam outside annotation coreCBO23.48131.0 / 0.5

A1IEG · calculated observed ligand environment

Deposited instance PDB:9FOC:LIG:D:A1IEG:402:.. Closest calculated PWWP-region atom distance: 2.9045 Å. Five-Å native core contacts: 12; broader-Pfam contacts: 2; source-coordinate model 1.

Limitations: partial occupancy contact atoms; representative alt conformers selected

Canonical residueRegionProtein atomLigand atomDistance (Å)Occupancy
230 VALnative annotation coreCG1C84.19881.0 / 0.5
233 TYRnative annotation coreOHN33.36651.0 / 0.5
234 PROnative annotation coreOC115.50611.0 / 0.5
236 TRPnative annotation coreCZ2C133.46561.0 / 0.5
266 PHEnative annotation coreCD2C113.61251.0 / 0.5
267 PHEnative annotation coreOO23.78921.0 / 0.5
268 GLYnative annotation coreCAO23.45561.0 / 0.5
269 ASPnative annotation coreNO23.07441.0 / 0.5
270 ALAnative annotation coreNO13.03581.0 / 0.5
271 PROnative annotation coreOC3.90071.0 / 0.5
272 GLUnative annotation coreOE1N2.90451.0 / 0.5
273 ARGnative annotation coreOC84.28571.0 / 0.5
274 ALAnative annotation coreCBC84.04941.0 / 0.5
276 ILEnative annotation coreCD1C85.91751.0 / 0.5
318 LEUbroader pfam outside annotation coreCD1C124.53811.0 / 0.5
321 GLNbroader pfam outside annotation coreCBO23.4651.0 / 0.5

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—CD, CE, CG, NZCD, CE, CG, NZ—; occupancy ≥ 1.0
257 / 54LYSYes—CD, CE, NZCD, CE, 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————; 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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