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

Measured experimental coordinates · Phase 6C.1

1KHC · Dnmt3b PWWP1

Source chain A, canonical annotation-core residues 232–290. X-RAY DIFFRACTION · reported 1.8 Å. Original-coordinate SHA-256: 74e6ef75c14272818121a250f29daee64bb2485d0fdf784911795a3d408e79d7.

59Core residues with observed coordinates (59 annotated)
9Missing heavy side-chain atoms in observed core
1Experimental models evaluated
0Source-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
15909910

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.

No verified research-ligand local environment is assigned to this chain/domain. It may be apo, structurally incomplete, or lack the necessary source-role verification.

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
232 / 14ILEYes————; occupancy ≥ 1.0
233 / 15GLYYes————; occupancy ≥ 1.0
234 / 16ASPYes————; occupancy ≥ 1.0
235 / 17LEUYes————; occupancy ≥ 1.0
236 / 18VALYes————; occupancy ≥ 1.0
237 / 19TRPYes————; occupancy ≥ 1.0
238 / 20GLYYes————; occupancy ≥ 1.0
239 / 21LYSYes————; occupancy ≥ 1.0
240 / 22ILEYes————; occupancy ≥ 1.0
241 / 23LYSYes————; occupancy ≥ 1.0
242 / 24GLYYes————; occupancy ≥ 1.0
243 / 25PHEYes—CB, CD1, CD2, CE1, CE2, CG, CZCB, CD1, CD2, CE1, CE2, CG, CZ—; occupancy ≥ 1.0
244 / 26SERYes————; occupancy ≥ 1.0
245 / 27TRPYes————; occupancy ≥ 1.0
246 / 28TRPYes————; occupancy ≥ 1.0
247 / 29PROYes————; occupancy ≥ 1.0
248 / 30ALAYes————; occupancy ≥ 1.0
249 / 31METYes————; occupancy ≥ 1.0
250 / 32VALYes————; occupancy ≥ 1.0
251 / 33VALYes————; occupancy ≥ 1.0
252 / 34SERYes————; occupancy ≥ 1.0
253 / 35TRPYes————; occupancy ≥ 1.0
254 / 36LYSYes—CE, NZCE, NZ—; occupancy ≥ 1.0
255 / 37ALAYes————; occupancy ≥ 1.0
256 / 38THRYes————; occupancy ≥ 1.0
257 / 39SERYes————; occupancy ≥ 1.0
258 / 40LYSYes————; occupancy ≥ 1.0
259 / 41ARGYes————; occupancy ≥ 1.0
260 / 42GLNYes————; occupancy ≥ 1.0
261 / 43ALAYes————; occupancy ≥ 1.0
262 / 44METYes————; occupancy ≥ 1.0
263 / 45PROYes————; occupancy ≥ 1.0
264 / 46GLYYes————; occupancy ≥ 1.0
265 / 47METYes————; occupancy ≥ 1.0
266 / 48ARGYes————; occupancy ≥ 1.0
267 / 49TRPYes————; occupancy ≥ 1.0
268 / 50VALYes————; occupancy ≥ 1.0
269 / 51GLNYes————; occupancy ≥ 1.0
270 / 52TRPYes————; occupancy ≥ 1.0
271 / 53PHEYes————; occupancy ≥ 1.0
272 / 54GLYYes————; occupancy ≥ 1.0
273 / 55ASPYes————; occupancy ≥ 1.0
274 / 56GLYYes————; occupancy ≥ 1.0
275 / 57LYSYes————; occupancy ≥ 1.0
276 / 58PHEYes————; occupancy ≥ 1.0
277 / 59SERYes————; occupancy ≥ 1.0
278 / 60GLUYes————; occupancy ≥ 1.0
279 / 61ILEYes————; occupancy ≥ 1.0
280 / 62SERYes———A, B; occupancy ≥ 0.5
281 / 63ALAYes————; occupancy ≥ 1.0
282 / 64ASPYes————; occupancy ≥ 1.0
283 / 65LYSYes————; occupancy ≥ 1.0
284 / 66LEUYes————; occupancy ≥ 1.0
285 / 67VALYes————; occupancy ≥ 1.0
286 / 68ALAYes————; occupancy ≥ 1.0
287 / 69LEUYes————; occupancy ≥ 1.0
288 / 70GLYYes————; occupancy ≥ 1.0
289 / 71LEUYes————; occupancy ≥ 1.0
290 / 72PHEYes————; occupancy ≥ 1.0

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