Experimental structure
4Z02
Crystal structure of BRD1 in complex with Isoquinoline-3-carboxylic acid
Original coordinates
Explore the structure
Load the deposited coordinates to rotate, zoom and inspect the structure.
Drag to rotate · scroll or pinch to zoom. Keyboard: focus the view, then use arrow keys to rotate, + / − to zoom, and Home to reset.
Original coordinates are available from a locally verified historical archive or the bundled source and load on request.
Coordinate coverage
Mapped chains
Label and author chain identifiers are kept separately. Observed Cα counts refer to each mapped annotation core.
| Protein | Label chain | Author chain | Domain | Observed Cα / core | Observed substitutions |
|---|---|---|---|---|---|
| BRD1 | A | ["A"] | UP:O95696:PWWP1 | 84 / 84 | 0 |
| BRD1 | B | ["B"] | UP:O95696:PWWP1 | 69 / 84 | 0 |
Chemical identity
Chemical components and interpretation
| CCD | Name | Role | Full InChIKey |
|---|---|---|---|
| 4K8 | isoquinoline-3-carboxylic acid | experimentally deposited ligand functional | KVMMIDQDXZOPAB-UHFFFAOYSA-N |
| EDO | 1,2-ETHANEDIOL | cryoprotectant/additive incidental | LYCAIKOWRPUZTN-UHFFFAOYSA-N |
| UNX | UNKNOWN ATOM OR ION | unknown chemical component unknown | Unresolved |
| HOH | WATER | solvent incidental | XLYOFNOQVPJJNP-UHFFFAOYSA-N |
Geometry, with defined scope
Independent contact evidence
Inspect 13 retained contact records
| CCD / instance | Protein chain | Contact class | Minimum core / broader domain distance Å |
|---|---|---|---|
| 4K8 · C | BRD1 · A | native annotation core contact | 2.89 / 2.89 |
| 4K8 · L | BRD1 · B | native annotation core contact | 2.91 / 2.91 |
| EDO · D | BRD1 · A | native annotation core contact | 2.96 / 2.96 |
| UNX · E | BRD1 · A | native annotation core contact | 4.41 / 4.41 |
| UNX · F | BRD1 · A | native annotation core contact | 2.65 / 2.65 |
| UNX · G | BRD1 · A | broader Pfam PWWP contact | 15.4 / 3.6 |
| UNX · H | BRD1 · A | native annotation core contact | 3.36 / 3.36 |
| UNX · I | BRD1 · A | native annotation core contact | 3.03 / 3.03 |
| UNX · J | BRD1 · A | native annotation core contact | 3.64 / 3.56 |
| UNX · K | BRD1 · A | broader Pfam PWWP contact | 5.84 / 3.73 |
| UNX · M | BRD1 · B | native annotation core contact | 4.56 / 4.56 |
| UNX · N | BRD1 · B | native annotation core contact | 3.43 / 3.43 |
| UNX · O | BRD1 · B | native annotation core contact | 3.8 / 3.8 |
Biological partners
No curated macromolecular partner record.
Source interpretation
Focused scientific audit
retain with stated interpretation/caveats. Co-crystal with isoquinoline-3-carboxylic acid4K8 supported; a deposited contact is not a measured-affinity claim. ChainB misses929 and 951–964; UNX remains unresolved.