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

Measured experimental coordinates · Phase 6C.1

3PMI · PWWP3A PWWP1

Source chain C, canonical annotation-core residues 411–472. X-RAY DIFFRACTION · reported 2.82 Å. Original-coordinate SHA-256: 52f3b3990ae56709e3ade6285042ecceba9dc6e0df5bbbb1e8a8eb4ff99d78ea.

62Core residues with observed coordinates (62 annotated)
31Missing 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
1620313103

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
411 / 7VALYes————; occupancy ≥ 1.0
412 / 8GLYYes————; occupancy ≥ 1.0
413 / 9MSE chemistry unassessableYes————; occupancy ≥ 1.0
414 / 10LEUYes————; occupancy ≥ 1.0
415 / 11VALYes————; occupancy ≥ 1.0
416 / 12TRPYes————; occupancy ≥ 1.0
417 / 13HISYes————; occupancy ≥ 1.0
418 / 14LYSYes————; occupancy ≥ 1.0
419 / 15HISYes————; occupancy ≥ 1.0
420 / 16LYSYes—CD, CE, CG, NZCD, CE, CG, NZ—; occupancy ≥ 1.0
421 / 17LYSYes—CD, CE, CG, NZCD, CE, CG, NZ—; occupancy ≥ 1.0
422 / 18TYRYes————; occupancy ≥ 1.0
423 / 19PROYes————; occupancy ≥ 1.0
424 / 20PHEYes————; occupancy ≥ 1.0
425 / 21TRPYes————; occupancy ≥ 1.0
426 / 22PROYes————; occupancy ≥ 1.0
427 / 23ALAYes————; occupancy ≥ 1.0
428 / 24VALYes————; occupancy ≥ 1.0
429 / 25VALYes————; occupancy ≥ 1.0
430 / 26LYSYes————; occupancy ≥ 1.0
431 / 27SERYes————; occupancy ≥ 1.0
432 / 28VALYes————; occupancy ≥ 1.0
433 / 29ARGYes—CD, CG, CZ, NE, NH1, NH2CD, CG, CZ, NE, NH1, NH2—; occupancy ≥ 1.0
434 / 30GLNYes————; occupancy ≥ 1.0
435 / 31ARGYes—CD, CG, CZ, NE, NH1, NH2CD, CG, CZ, NE, NH1, NH2—; occupancy ≥ 1.0
436 / 32ASPYes—CG, OD1, OD2CG, OD1, OD2—; occupancy ≥ 1.0
437 / 33LYSYes—CD, CE, CG, NZCD, CE, CG, NZ—; occupancy ≥ 1.0
438 / 34LYSYes————; occupancy ≥ 1.0
439 / 35ALAYes————; occupancy ≥ 1.0
440 / 36SERYes————; occupancy ≥ 1.0
441 / 37VALYes————; occupancy ≥ 1.0
442 / 38LEUYes————; occupancy ≥ 1.0
443 / 39TYRYes————; occupancy ≥ 1.0
444 / 40ILEYes————; occupancy ≥ 1.0
445 / 41GLUYes————; occupancy ≥ 1.0
446 / 42GLYYes————; occupancy ≥ 1.0
447 / 43HISYes————; occupancy ≥ 1.0
448 / 44MSE chemistry unassessableYes————; occupancy ≥ 1.0
449 / 45ASNYes————; occupancy ≥ 1.0
450 / 46PROYes————; occupancy ≥ 1.0
451 / 47LYSYes————; occupancy ≥ 1.0
452 / 48MSE chemistry unassessableYes————; occupancy ≥ 1.0
453 / 49LYSYes————; occupancy ≥ 1.0
454 / 50GLYYes————; occupancy ≥ 1.0
455 / 51PHEYes————; occupancy ≥ 1.0
456 / 52THRYes————; occupancy ≥ 1.0
457 / 53VALYes————; occupancy ≥ 1.0
458 / 54SERYes————; occupancy ≥ 1.0
459 / 55LEUYes————; occupancy ≥ 1.0
460 / 56LYSYes—CD, CE, CG, NZCD, CE, CG, NZ—; occupancy ≥ 1.0
461 / 57SERYes————; occupancy ≥ 1.0
462 / 58LEUYes————; occupancy ≥ 1.0
463 / 59LYSYes————; occupancy ≥ 1.0
464 / 60HISYes————; occupancy ≥ 1.0
465 / 61PHEYes————; occupancy ≥ 1.0
466 / 62ASPYes————; occupancy ≥ 1.0
467 / 63CYSYes————; occupancy ≥ 1.0
468 / 64LYSYes————; occupancy ≥ 1.0
469 / 65GLUYes————; occupancy ≥ 1.0
470 / 66LYSYes————; occupancy ≥ 1.0
471 / 67GLNYes————; occupancy ≥ 1.0
472 / 68THRYes————; occupancy ≥ 1.0

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