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

Measured experimental coordinates · Phase 6C.1

6UE6 · NSD2 PWWP1

Source chain C, canonical annotation-core residues 222–286. X-RAY DIFFRACTION · reported 2.4 Å. Original-coordinate SHA-256: fbf22f430937d8ed0ad110294f251af23fd33f7e8bf3164fe0dc9e3cb4f21d27.

62Core residues with observed coordinates (65 annotated)
12Missing 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
1622121200

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.

Q5D · calculated observed ligand environment

Deposited instance PDB:6UE6:LIG:EA:Q5D:2001:.. Closest calculated PWWP-region atom distance: 3.0676 Å. Five-Å native core contacts: 12; broader-Pfam contacts: 2; source-coordinate model 1.

Limitations: multi chain environment source annotation

Canonical residueRegionProtein atomLigand atomDistance (Å)Occupancy
228 SERnative annotation coreOC105.51581.0 / 1.0
230 VALnative annotation coreCG2C103.85261.0 / 1.0
233 TYRnative annotation coreOHO3.28271.0 / 1.0
234 PROnative annotation coreOC105.25691.0 / 1.0
236 TRPnative annotation coreCD2C93.49981.0 / 1.0
266 PHEnative annotation coreCE1C103.61281.0 / 1.0
267 PHEnative annotation coreON3.92281.0 / 1.0
268 GLYnative annotation coreCAN3.36171.0 / 1.0
269 ASPnative annotation coreNN3.48551.0 / 1.0
270 ALAnative annotation coreOC53.06761.0 / 1.0
271 PROnative annotation coreNN4.39371.0 / 1.0
272 GLUnative annotation coreCGC23.3851.0 / 1.0
273 ARGnative annotation coreOC153.67031.0 / 1.0
274 ALAnative annotation coreCBC143.76061.0 / 1.0
276 ILEnative annotation coreCD1C135.82911.0 / 1.0
318 LEUbroader pfam outside annotation coreCD1C74.1871.0 / 1.0
321 GLNbroader pfam outside annotation coreOE1C63.57181.0 / 1.0

Q5D · calculated observed ligand environment

Deposited instance PDB:6UE6:LIG:S:Q5D:2001:.. Closest calculated PWWP-region atom distance: 3.4529 Å. Five-Å native core contacts: 1; broader-Pfam contacts: 4; source-coordinate model 1.

Limitations: multi chain environment source annotation

Canonical residueRegionProtein atomLigand atomDistance (Å)Occupancy
269 ASPnative annotation coreOD2C153.9411.0 / 1.0
316 GLYbroader pfam outside annotation coreOC134.87381.0 / 1.0
317 LYSbroader pfam outside annotation coreCDO3.62861.0 / 1.0
320 ALAbroader pfam outside annotation coreCBC143.45291.0 / 1.0
321 GLNbroader pfam outside annotation coreCGC154.32791.0 / 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 / 13VALYes————; occupancy ≥ 1.0
223 / 14GLYYes————; occupancy ≥ 1.0
224 / 15ASPYes————; occupancy ≥ 1.0
225 / 16LEUYes————; occupancy ≥ 1.0
226 / 17VALYes————; occupancy ≥ 1.0
227 / 18TRPYes————; occupancy ≥ 1.0
228 / 19SERYes————; occupancy ≥ 1.0
229 / 20LYSYes————; occupancy ≥ 1.0
230 / 21VALYes————; occupancy ≥ 1.0
231 / 22SERYes————; occupancy ≥ 1.0
232 / 23GLYYes————; occupancy ≥ 1.0
233 / 24TYRYes————; occupancy ≥ 1.0
234 / 25PROYes————; occupancy ≥ 1.0
235 / 26TRPYes————; occupancy ≥ 1.0
236 / 27TRPYes————; occupancy ≥ 1.0
237 / 28PROYes————; occupancy ≥ 1.0
238 / 29CYSYes————; occupancy ≥ 1.0
239 / 30METYes————; occupancy ≥ 1.0
240 / 31VALYes————; occupancy ≥ 1.0
241 / 32SERYes————; occupancy ≥ 1.0
242 / 33ALAYes————; occupancy ≥ 1.0
243 / 34ASPYes————; occupancy ≥ 1.0
244 / 35PROYes————; occupancy ≥ 1.0
245 / 36LEUYes—CD1, CD2CD1, CD2—; occupancy ≥ 1.0
246 / 37LEUYes————; occupancy ≥ 1.0
247 / 38HISYes————; occupancy ≥ 1.0
248 / 39SERYes————; occupancy ≥ 1.0
249 / 40TYRYes————; occupancy ≥ 1.0
250 / 41THRYes————; occupancy ≥ 1.0
251 / 42LYSYes—CE, NZCE, NZ—; occupancy ≥ 1.0
252 / 43LEUYes————; occupancy ≥ 1.0
253 / 44LYSYes—NZNZ—; occupancy ≥ 1.0
254 / 45GLYYesC, O———; occupancy ≥ 1.0
255 / 46GLNNo coordinates————
256 / 47LYSNo coordinates————
257 / 48LYSNo coordinates————
258 / 49SERYes—OGOG—; occupancy ≥ 1.0
259 / 50ALAYes————; occupancy ≥ 1.0
260 / 51ARGYes————; occupancy ≥ 1.0
261 / 52GLNYes————; occupancy ≥ 1.0
262 / 53TYRYes————; occupancy ≥ 1.0
263 / 54HISYes————; occupancy ≥ 1.0
264 / 55VALYes————; occupancy ≥ 1.0
265 / 56GLNYes————; occupancy ≥ 1.0
266 / 57PHEYes————; occupancy ≥ 1.0
267 / 58PHEYes————; occupancy ≥ 1.0
268 / 59GLYYes————; occupancy ≥ 1.0
269 / 60ASPYes————; occupancy ≥ 1.0
270 / 61ALAYes————; occupancy ≥ 1.0
271 / 62PROYes————; occupancy ≥ 1.0
272 / 63GLUYes————; occupancy ≥ 1.0
273 / 64ARGYes————; occupancy ≥ 1.0
274 / 65ALAYes————; occupancy ≥ 1.0
275 / 66TRPYes————; occupancy ≥ 1.0
276 / 67ILEYes————; occupancy ≥ 1.0
277 / 68PHEYes————; occupancy ≥ 1.0
278 / 69GLUYes—OE1, OE2OE1, OE2—; occupancy ≥ 1.0
279 / 70LYSYes—NZNZ—; occupancy ≥ 1.0
280 / 71SERYes————; occupancy ≥ 1.0
281 / 72LEUYes————; occupancy ≥ 1.0
282 / 73VALYes————; occupancy ≥ 1.0
283 / 74ALAYes————; occupancy ≥ 1.0
284 / 75PHEYes————; occupancy ≥ 1.0
285 / 76GLUYes—CD, OE1, OE2CD, OE1, OE2—; occupancy ≥ 1.0
286 / 77GLYYes————; occupancy ≥ 1.0

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