Measured experimental coordinates · Phase 6C.1
7HHB · HDGFL2 PWWP1
Source chain C, canonical annotation-core residues 7–64. X-RAY DIFFRACTION · reported 1.78 Å. Original-coordinate SHA-256: 74de6fef6f1404d5004e36652caa36db3bc786168e2e14eb800946685437d846.
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.
| Model | Core residues observed | Missing backbone | Missing side-chain (union) | Missing side-chain (consistent conformer) | Partial occupancy residues | Unassessable chemistry |
|---|---|---|---|---|---|---|
| 1 | 54 | 0 | 15 | 15 | 0 | 0 |
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.
A1A3U · calculated observed ligand environment
Deposited instance PDB:7HHB:LIG:L:A1A3U:102:.. Closest calculated PWWP-region atom distance: 2.6837 Å. Five-Å native core contacts: 8; broader-Pfam contacts: 0; source-coordinate model 1.
Limitations: partial occupancy contact atoms
| Canonical residue | Region | Protein atom | Ligand atom | Distance (Å) | Occupancy |
|---|---|---|---|---|---|
| 15 MET | native annotation core | SD | C4 | 3.644 | 1.0 / 0.72 |
| 18 TYR | native annotation core | OH | C | 3.4937 | 1.0 / 0.72 |
| 19 PRO | native annotation core | O | C7 | 5.7993 | 1.0 / 0.72 |
| 21 TRP | native annotation core | CD2 | C8 | 3.4886 | 1.0 / 0.72 |
| 44 PHE | native annotation core | CD1 | C8 | 3.4507 | 1.0 / 0.72 |
| 45 PHE | native annotation core | O | N1 | 5.5957 | 1.0 / 0.72 |
| 47 THR | native annotation core | OG1 | N1 | 2.8158 | 1.0 / 0.72 |
| 48 HIS | native annotation core | N | N1 | 5.8224 | 1.0 / 0.72 |
| 49 GLU | native annotation core | OE1 | N | 2.6837 | 1.0 / 0.72 |
| 50 THR | native annotation core | O | C3 | 3.6927 | 1.0 / 0.72 |
| 51 ALA | native annotation core | CB | C4 | 4.2264 | 1.0 / 0.72 |
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 position | Component | Observed | Missing backbone | Missing side-chain (union) | Missing side-chain (consistent) | Alt & occupancy |
|---|---|---|---|---|---|---|
| 7 / 8 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 8 / 9 | GLY | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 9 / 10 | ASP | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 10 / 11 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 11 / 12 | VAL | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 12 / 13 | PHE | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 13 / 14 | ALA | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 14 / 15 | LYS | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 15 / 16 | MET | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 16 / 17 | LYS | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 17 / 18 | GLY | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 18 / 19 | TYR | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 19 / 20 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 20 / 21 | HIS | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 21 / 22 | TRP | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 22 / 23 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 23 / 24 | ALA | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 24 / 25 | ARG | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 25 / 26 | ILE | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 26 / 27 | ASP | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 27 / 28 | ASP | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 28 / 29 | ILE | Yes | — | CD1, CG1, CG2 | CD1, CG1, CG2 | —; occupancy ≥ 1.0 |
| 29 / 30 | ALA | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 30 / 31 | ASP | No coordinates | — | — | — | — |
| 31 / 32 | GLY | No coordinates | — | — | — | — |
| 32 / 33 | ALA | No coordinates | — | — | — | — |
| 33 / 34 | VAL | No coordinates | — | — | — | — |
| 34 / 35 | LYS | Yes | — | CD, CE, CG, NZ | CD, CE, CG, NZ | —; occupancy ≥ 1.0 |
| 35 / 36 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 36 / 37 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 37 / 38 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 38 / 39 | ASN | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 39 / 40 | LYS | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 40 / 41 | TYR | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 41 / 42 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 42 / 43 | ILE | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 43 / 44 | PHE | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 44 / 45 | PHE | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 45 / 46 | PHE | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 46 / 47 | GLY | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 47 / 48 | THR | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 48 / 49 | HIS | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 49 / 50 | GLU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 50 / 51 | THR | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 51 / 52 | ALA | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 52 / 53 | PHE | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 53 / 54 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 54 / 55 | GLY | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 55 / 56 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 56 / 57 | LYS | Yes | — | CD, CE, CG, NZ | CD, CE, CG, NZ | —; occupancy ≥ 1.0 |
| 57 / 58 | ASP | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 58 / 59 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 59 / 60 | PHE | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 60 / 61 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 61 / 62 | TYR | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 62 / 63 | ASP | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 63 / 64 | LYS | Yes | — | CD, CE, CG, NZ | CD, CE, CG, NZ | —; occupancy ≥ 1.0 |
| 64 / 65 | SER | Yes | — | — | — | —; occupancy ≥ 1.0 |
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