7O2P
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with ITF3756
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Histone deacetylase 6 | polymer | 365 | 40342.5 | 2 | UniProt (F8W4B7) Pfam (PF00850) | Danio rerio (Zebrafish Brachydanio rerio) | |
| 2 | C, O (A, B) | ~{N}-oxidanyl-4-[(5-thiophen-2-yl-1,2,3,4-tetrazol-1-yl)methyl]benzamide | non-polymer | 301.3 | 2 | Chemie (UZW) | |||
| 3 | D, P (A, B) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 4 | E, F, Q, R (A, B) | POTASSIUM ION | non-polymer | 39.1 | 4 | Chemie (K) | |||
| 5 | G, H, N, S (A, B) | IODIDE ION | non-polymer | 126.9 | 4 | Chemie (IOD) | |||
| 6 | I, J, T, U, V (A, B) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
| 7 | K, W, X, Y (A, B) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 4 | Chemie (PEG) | |||
| 8 | L, M, Z (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 3 | Chemie (EDO) | |||
| 9 | AA (B) | 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 282.3 | 1 | Chemie (B3P) | |||
| 10 | BA, CA (A, B) | water | water | 18.0 | 213 | Chemie (HOH) |
Sequence modifications
A, B: 440 - 798 (UniProt: F8W4B7)
| PDB | External Database | Details |
|---|---|---|
| Gly 434 | - | cloning artifact |
| Ser 435 | - | cloning artifact |
| Asn 436 | - | cloning artifact |
| Ala 437 | - | cloning artifact |
| Gly 438 | - | cloning artifact |
| Gly 439 | - | cloning artifact |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 80685.1 | |
| Non-Polymers* | Number of molecules | 25 |
| Total formula weight | 2751.0 | |
| All* | Total formula weight | 83436.0 |
