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

Measured experimental coordinates · Phase 6C.1

4RXJ · NSD3 PWWP2

Source chain A, canonical annotation-core residues 960–1022. X-RAY DIFFRACTION · reported 2.1 Å. Original-coordinate SHA-256: cc81bcf3c5700c5f8333dbc7abff58b44e20b1c9647365431f5d0c5f8f90dea3.

63Core residues with observed coordinates (63 annotated)
18Missing 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
1630181830

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
960 / 9TYRYes————; occupancy ≥ 1.0
961 / 10LYSYes————; occupancy ≥ 1.0
962 / 11GLNYes————; occupancy ≥ 1.0
963 / 12ILEYes————; occupancy ≥ 1.0
964 / 13VALYes————; occupancy ≥ 1.0
965 / 14TRPYes————; occupancy ≥ 1.0
966 / 15VALYes————; occupancy ≥ 1.0
967 / 16LYSYes—NZNZ—; occupancy ≥ 1.0
968 / 17LEUYes————; occupancy ≥ 1.0
969 / 18GLYYes————; occupancy ≥ 1.0
970 / 19ASNYes————; occupancy ≥ 1.0
971 / 20TYRYes————; occupancy ≥ 1.0
972 / 21ARGYes————; occupancy ≥ 1.0
973 / 22TRPYes————; occupancy ≥ 1.0
974 / 23TRPYes————; occupancy ≥ 1.0
975 / 24PROYes————; occupancy ≥ 1.0
976 / 25ALAYes————; occupancy ≥ 1.0
977 / 26GLUYes————; occupancy ≥ 1.0
978 / 27ILEYes————; occupancy ≥ 1.0
979 / 28CYSYes————; occupancy ≥ 1.0
980 / 29ASNYes————; occupancy ≥ 1.0
981 / 30PROYes————; occupancy ≥ 1.0
982 / 31ARGYes—CD, CZ, NE, NH1, NH2CD, CZ, NE, NH1, NH2—; occupancy ≥ 1.0
983 / 32SERYes————; occupancy ≥ 1.0
984 / 33VALYes————; occupancy ≥ 1.0
985 / 34PROYes————; occupancy ≥ 1.0
986 / 35LEUYes—CD1, CD2, CGCD1, CD2, CG—; occupancy ≥ 1.0
987 / 36ASNYes————; occupancy ≥ 1.0
988 / 37ILEYes————; occupancy ≥ 1.0
989 / 38GLNYes————; occupancy ≥ 1.0
990 / 39GLYYes————; occupancy ≥ 1.0
991 / 40LEUYes————; occupancy ≥ 1.0
992 / 41LYSYes—CD, CE, NZCD, CE, NZ—; occupancy ≥ 1.0
993 / 42HISYes————; occupancy ≥ 1.0
994 / 43ASPYes————; occupancy ≥ 1.0
995 / 44LEUYes————; occupancy ≥ 1.0
996 / 45GLYYes————; occupancy ≥ 1.0
997 / 46ASPYes————; occupancy ≥ 1.0
998 / 47PHEYes————; occupancy ≥ 1.0
999 / 48PROYes————; occupancy ≥ 1.0
1000 / 49VALYes————; occupancy ≥ 1.0
1001 / 50PHEYes————; occupancy ≥ 1.0
1002 / 51PHEYes————; occupancy ≥ 1.0
1003 / 52PHEYes————; occupancy ≥ 1.0
1004 / 53GLYYes————; occupancy ≥ 1.0
1005 / 54SERYes————; occupancy ≥ 1.0
1006 / 55HISYes————; occupancy ≥ 1.0
1007 / 56ASPYes————; occupancy ≥ 1.0
1008 / 57TYRYes————; occupancy ≥ 1.0
1009 / 58TYRYes—CD1, CD2, CE1, CE2, CZ, OHCD1, CD2, CE1, CE2, CZ, OH—; occupancy ≥ 1.0
1010 / 59TRPYes————; occupancy ≥ 1.0
1011 / 60VALYes————; occupancy ≥ 1.0
1012 / 61HISYes————; occupancy ≥ 1.0
1013 / 62GLNYes————; occupancy ≥ 1.0
1014 / 63GLYYes————; occupancy ≥ 1.0
1015 / 64ARGYes———A, B; occupancy ≥ 0.5
1016 / 65VALYes————; occupancy ≥ 1.0
1017 / 66PHEYes————; occupancy ≥ 1.0
1018 / 67PROYes————; occupancy ≥ 1.0
1019 / 68TYRYes————; occupancy ≥ 1.0
1020 / 69VALYes————; occupancy ≥ 1.0
1021 / 70GLUYes———A, B; occupancy ≥ 0.5
1022 / 71GLYYes———A, B; occupancy ≥ 0.5

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