7U8Z
Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (CD2) complexed with fluorinated peptoid inhibitor
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D (A, B, C, D) | Hdac6 protein | polymer | 364 | 40285.5 | 4 | UniProt (A7YT55) Pfam (PF00850) UniProt (by SIFTS) (F8W4B7) | Danio rerio (zebrafish) | Histone Deacetylase 6 |
| 2 | E (A) | ACETATE ION | non-polymer | 59.0 | 1 | Chemie (ACT) PubChem (175) | |||
| 3 | F, J, Q, V (A, B, C, D) | 4-({N-[2-(benzylamino)-2-oxoethyl]-4-(dimethylamino)benzamido}methyl)-3-fluoro-N-hydroxybenzamide | non-polymer | 478.5 | 4 | Chemie (M0I) PubChem (165430653) | |||
| 4 | AA, G, N, S (D, A, B, C) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) PubChem (32051) | |||
| 5 | BA, CA, H, I, O... (D, A, B, C) | POTASSIUM ION | non-polymer | 39.1 | 8 | Chemie (K) PubChem (813) | |||
| 6 | K, L, M, W, X... (B, D) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 6 | Chemie (EDO) | |||
| 7 | R (C) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) PubChem (753) | |||
| 8 | Z (D) | MALONATE ION | non-polymer | 102.0 | 1 | Chemie (MLI) PubChem (9084) | |||
| 9 | DA, EA, FA, GA (A, B, C, D) | water | water | 18.0 | 1047 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 440 - 798 (UniProt: A7YT55)
| PDB | External Database | Details |
|---|---|---|
| Ser 435 | - | expression tag |
| Asn 436 | - | expression tag |
| Ala 437 | - | expression tag |
| Gly 438 | - | expression tag |
| Gly 439 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 161141.9 | |
| Non-Polymers* | Number of molecules | 25 |
| Total formula weight | 3114.1 | |
| All* | Total formula weight | 164256.0 |
