Measured experimental coordinates · Phase 6C.1
5C6S · BRPF1 PWWP1
Source chain A, canonical annotation-core residues 1085–1168. X-RAY DIFFRACTION · reported 1.3 Å. Original-coordinate SHA-256: 11177c1e1dd3c3da1e8f13cd9027a2c09ee81fb4d06a757069aaa72655dded76.
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 | 84 | 0 | 14 | 14 | 14 | 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:5C6S:LIG:B:4K8:1301:.. Closest calculated PWWP-region atom distance: 3.1091 Å. Five-Å native core contacts: 7; broader-Pfam contacts: 1; source-coordinate model 1.
Limitations: contacting sidechain atoms incomplete; partial occupancy contact atoms; representative alt conformers selected
| Canonical residue | Region | Protein atom | Ligand atom | Distance (Å) | Occupancy |
|---|---|---|---|---|---|
| 1093 CYS | native annotation core | SG | C09 | 4.9164 | 0.5 / 1.0 |
| 1096 TYR | native annotation core | OH | C12 | 3.1091 | 0.55 / 1.0 |
| 1097 PRO | native annotation core | O | C08 | 5.8334 | 1.0 / 1.0 |
| 1099 TYR | native annotation core | CG | C07 | 3.7589 | 0.7 / 1.0 |
| 1147 PHE | native annotation core | CD2 | C09 | 3.6115 | 1.0 / 1.0 |
| 1149 ASP | native annotation core | OD2 | C12 | 3.2228 | 1.0 / 1.0 |
| 1150 ASN | native annotation core | N | C02 | 5.0122 | 1.0 / 1.0 |
| 1151 LYS | native annotation core | CE | N13 | 4.9877 | 0.5 / 1.0 |
| 1153 THR | native annotation core | OG1 | C12 | 3.9023 | 1.0 / 1.0 |
| 1155 GLN | native annotation core | OE1 | C09 | 5.6757 | 1.0 / 1.0 |
| 1187 SER | broader pfam outside annotation core | OG | C02 | 3.9849 | 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 |
|---|---|---|---|---|---|---|
| 1085 / 8 | ALA | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1086 / 9 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1087 / 10 | ASP | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1088 / 11 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1089 / 12 | VAL | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1090 / 13 | TRP | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1091 / 14 | ALA | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1092 / 15 | LYS | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1093 / 16 | CYS | Yes | — | — | — | A, B; occupancy ≥ 0.5 |
| 1094 / 17 | ARG | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1095 / 18 | GLY | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1096 / 19 | TYR | Yes | — | — | — | A, B; occupancy ≥ 0.45 |
| 1097 / 20 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1098 / 21 | SER | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1099 / 22 | TYR | Yes | — | — | — | A, B; occupancy ≥ 0.3 |
| 1100 / 23 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1101 / 24 | ALA | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1102 / 25 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1103 / 26 | ILE | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1104 / 27 | ILE | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1105 / 28 | ASP | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1106 / 29 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1107 / 30 | LYS | Yes | — | CE, NZ | CE, NZ | —; occupancy ≥ 1.0 |
| 1108 / 31 | MET | Yes | — | — | — | A, B; occupancy ≥ 0.4 |
| 1109 / 32 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1110 / 33 | ARG | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1111 / 34 | GLU | Yes | — | — | — | A, B; occupancy ≥ 0.5 |
| 1112 / 35 | GLY | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1113 / 36 | MET | Yes | — | — | — | A, B; occupancy ≥ 0.5 |
| 1114 / 37 | PHE | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1115 / 38 | HIS | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1116 / 39 | HIS | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1117 / 40 | GLY | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1118 / 41 | VAL | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1119 / 42 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1120 / 43 | ILE | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1121 / 44 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1122 / 45 | VAL | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1123 / 46 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1124 / 47 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1125 / 48 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1126 / 49 | GLU | Yes | — | CD, OE1, OE2 | CD, OE1, OE2 | —; occupancy ≥ 1.0 |
| 1127 / 50 | VAL | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1128 / 51 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1129 / 52 | LYS | Yes | — | CE, NZ | CE, NZ | —; occupancy ≥ 1.0 |
| 1130 / 53 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1131 / 54 | GLY | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1132 / 55 | GLU | Yes | — | — | — | A, B; occupancy ≥ 0.5 |
| 1133 / 56 | GLN | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1134 / 57 | MET | Yes | — | — | — | A, B; occupancy ≥ 0.3 |
| 1135 / 58 | THR | Yes | — | — | — | A, B; occupancy ≥ 0.5 |
| 1136 / 59 | GLN | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1137 / 60 | GLU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1138 / 61 | ALA | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1139 / 62 | ARG | Yes | — | CD, CG, CZ, NE, NH1, NH2 | CD, CG, CZ, NE, NH1, NH2 | A, B; occupancy ≥ 0.5 |
| 1140 / 63 | GLU | Yes | — | — | — | A, B; occupancy ≥ 0.5 |
| 1141 / 64 | HIS | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1142 / 65 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1143 / 66 | TYR | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1144 / 67 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1145 / 68 | VAL | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1146 / 69 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1147 / 70 | PHE | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1148 / 71 | PHE | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1149 / 72 | ASP | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1150 / 73 | ASN | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1151 / 74 | LYS | Yes | — | NZ | NZ | A, B; occupancy ≥ 0.5 |
| 1152 / 75 | ARG | Yes | — | — | — | A, B; occupancy ≥ 0.3 |
| 1153 / 76 | THR | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1154 / 77 | TRP | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1155 / 78 | GLN | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1156 / 79 | TRP | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1157 / 80 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1158 / 81 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1159 / 82 | ARG | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1160 / 83 | THR | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1161 / 84 | LYS | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1162 / 85 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1163 / 86 | VAL | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1164 / 87 | PRO | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1165 / 88 | LEU | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1166 / 89 | GLY | Yes | — | — | — | —; occupancy ≥ 1.0 |
| 1167 / 90 | VAL | Yes | — | — | — | A, B; occupancy ≥ 0.5 |
| 1168 / 91 | ASN | Yes | — | — | — | —; occupancy ≥ 1.0 |
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