6ODA
Crystal structure of HDAC8 in complex with compound 2
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 | Histone deacetylase 8 | polymer | 413 | 45975.9 | 3 | UniProt (Q9BY41) Pfam (PF00850) In PDB | Homo sapiens (Human) | HD8 |
2 | A, B, C | N-{2-[3-(hydroxyamino)-3-oxopropyl]phenyl}-3-(trifluoromethyl)benzamide | non-polymer | 352.3 | 3 | Chemie (C7) | |||
3 | A, B, C | ZINC ION | non-polymer | 65.4 | 3 | Chemie (ZN) | |||
4 | A, B, C | POTASSIUM ION | non-polymer | 39.1 | 6 | Chemie (K) | |||
5 | water | water | 18.0 | 3 | Chemie (HOH) |
Sequence modifications
A, B, C: 1 - 377 (UniProt: Q9BY41)
PDB | External Database | Details |
---|---|---|
Met -23 | - | expression tag |
His -22 | - | expression tag |
His -21 | - | expression tag |
His -20 | - | expression tag |
His -19 | - | expression tag |
His -18 | - | expression tag |
His -17 | - | expression tag |
Ser -16 | - | expression tag |
Ser -15 | - | expression tag |
Gly -14 | - | expression tag |
Val -13 | - | expression tag |
Asp -12 | - | expression tag |
Leu -11 | - | expression tag |
Gly -10 | - | expression tag |
Thr -9 | - | expression tag |
Glu -8 | - | expression tag |
Asn -7 | - | expression tag |
Leu -6 | - | expression tag |
Tyr -5 | - | expression tag |
Phe -4 | - | expression tag |
Gln -3 | - | expression tag |
Ser -2 | - | expression tag |
Asn -1 | - | expression tag |
Ala 0 | - | expression tag |
Ile 378 | - | expression tag |
Glu 379 | - | expression tag |
Gly 380 | - | expression tag |
Arg 381 | - | expression tag |
Gly 382 | - | expression tag |
Ser 383 | - | expression tag |
His 384 | - | expression tag |
His 385 | - | expression tag |
His 386 | - | expression tag |
His 387 | - | expression tag |
His 388 | - | expression tag |
His 389 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 3 |
Total formula weight | 137927.7 | |
Non-Polymers* | Number of molecules | 12 |
Total formula weight | 1487.7 | |
All* | Total formula weight | 139415.5 |