Measured experimental coordinates · Phase 6C.1
4Z02 · BRD1 PWWP1
Source chain B, canonical annotation-core residues 929–1012. X-RAY DIFFRACTION · reported 1.87 Å. Original-coordinate SHA-256: 4845453d35b02dbb549d6634f82d209e4ec7a4b1c71ec02c869eea9e8bf3c2b9.
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 | 69 | 0 | 28 | 28 | 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.
4K8 · calculated observed ligand environment
Deposited instance PDB:4Z02:LIG:L:4K8:1101:.. Closest calculated PWWP-region atom distance: 2.9126 Å. Five-Å native core contacts: 7; broader-Pfam contacts: 0; source-coordinate model 1.
| Canonical residue | Region | Protein atom | Ligand atom | Distance (Å) | Occupancy |
|---|---|---|---|---|---|
| 935 ALA | native annotation core | O | C08 | 5.5833 | 1.0 / 1.0 |
| 937 CYS | native annotation core | SG | C05 | 4.2277 | 1.0 / 1.0 |
| 940 TYR | native annotation core | CE2 | C05 | 4.0849 | 1.0 / 1.0 |
| 941 PRO | native annotation core | O | C08 | 5.0278 | 1.0 / 1.0 |
| 943 TYR | native annotation core | CD2 | C09 | 3.6348 | 1.0 / 1.0 |
| 991 PHE | native annotation core | CZ | C07 | 3.7443 | 1.0 / 1.0 |
| 993 ASP | native annotation core | OD2 | C10 | 3.6207 | 1.0 / 1.0 |
| 997 SER | native annotation core | OG | C12 | 3.3378 | 1.0 / 1.0 |
| 998 TRP | native annotation core | O | C02 | 5.2324 | 1.0 / 1.0 |
| 999 GLN | native annotation core | NE2 | O03 | 2.9126 | 1.0 / 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 position | Component | Observed | Missing backbone | Missing side-chain (union) | Missing side-chain (consistent) | Alt & occupancy |
|---|---|---|---|---|---|---|
| 929 / 5 | PRO | No coordinates | — | — | — | — |
| 930 / 6 | LEU | Yes | — | CD1, CD2, CG | CD1, CD2, CG | —; occupancy ≥ 1.0 |
| 931 / 7 | LYS | Yes | — | CD, CE, NZ | CD, CE, NZ | —; occupancy ≥ 1.0 |
| 932 / 8 | VAL | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 933 / 9 | VAL | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 934 / 10 | TRP | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 935 / 11 | ALA | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 936 / 12 | LYS | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 937 / 13 | CYS | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 938 / 14 | SER | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 939 / 15 | GLY | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 940 / 16 | TYR | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 941 / 17 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 942 / 18 | SER | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 943 / 19 | TYR | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 944 / 20 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 945 / 21 | ALA | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 946 / 22 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 947 / 23 | ILE | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 948 / 24 | ILE | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 949 / 25 | ASP | Yes | — | CG, OD1, OD2 | CG, OD1, OD2 | —; occupancy ≥ 1.0 |
| 950 / 26 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 951 / 27 | LYS | No coordinates | — | — | — | — |
| 952 / 28 | MET | No coordinates | — | — | — | — |
| 953 / 29 | PRO | No coordinates | — | — | — | — |
| 954 / 30 | ARG | No coordinates | — | — | — | — |
| 955 / 31 | VAL | No coordinates | — | — | — | — |
| 956 / 32 | PRO | No coordinates | — | — | — | — |
| 957 / 33 | GLY | No coordinates | — | — | — | — |
| 958 / 34 | HIS | No coordinates | — | — | — | — |
| 959 / 35 | HIS | No coordinates | — | — | — | — |
| 960 / 36 | ASN | No coordinates | — | — | — | — |
| 961 / 37 | GLY | No coordinates | — | — | — | — |
| 962 / 38 | VAL | No coordinates | — | — | — | — |
| 963 / 39 | THR | No coordinates | — | — | — | — |
| 964 / 40 | ILE | No coordinates | — | — | — | — |
| 965 / 41 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 966 / 42 | ALA | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 967 / 43 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 968 / 44 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 969 / 45 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 970 / 46 | ASP | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 971 / 47 | VAL | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 972 / 48 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 973 / 49 | LYS | Yes | — | CD, CE, CG, NZ | CD, CE, CG, NZ | —; occupancy ≥ 1.0 |
| 974 / 50 | ILE | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 975 / 51 | GLY | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 976 / 52 | GLU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 977 / 53 | HIS | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 978 / 54 | MET | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 979 / 55 | GLN | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 980 / 56 | THR | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 981 / 57 | LYS | Yes | — | CD, CE, CG, NZ | CD, CE, CG, NZ | —; occupancy ≥ 1.0 |
| 982 / 58 | SER | Yes | — | OG | OG | —; occupancy ≥ 1.0 |
| 983 / 59 | ASP | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 984 / 60 | GLU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 985 / 61 | LYS | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 986 / 62 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 987 / 63 | PHE | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 988 / 64 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 989 / 65 | VAL | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 990 / 66 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 991 / 67 | PHE | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 992 / 68 | PHE | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 993 / 69 | ASP | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 994 / 70 | ASN | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 995 / 71 | LYS | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 996 / 72 | ARG | Yes | — | CD, CG, CZ, NE, NH1, NH2 | CD, CG, CZ, NE, NH1, NH2 | —; occupancy ≥ 1.0 |
| 997 / 73 | SER | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 998 / 74 | TRP | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 999 / 75 | GLN | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1000 / 76 | TRP | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1001 / 77 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1002 / 78 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1003 / 79 | LYS | Yes | — | CD, CE, CG, NZ | CD, CE, CG, NZ | —; occupancy ≥ 1.0 |
| 1004 / 80 | SER | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1005 / 81 | LYS | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1006 / 82 | MET | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1007 / 83 | VAL | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1008 / 84 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1009 / 85 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1010 / 86 | GLY | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1011 / 87 | ILE | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1012 / 88 | ASP | Yes | — | — | — | —; occupancy ≥ 1.0 |
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