6DQB
LINKED KDM5A JMJ DOMAIN FORMING COVALENT BOND TO INHIBITOR N71 i.e. 2-((3-(4-(dimethylamino)but-2-enamido)phenyl)(2-(piperidin-1-yl)ethoxy)methyl)thieno[3,2-b]pyridine-7-carboxylic acid
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Linked KDM5A Jmj Domain | polymer | 330 | 37944.8 | 1 | UniProt (P29375) Pfam (PF02375) Pfam (PF02373) | Homo sapiens (Human) | Histone demethylase JARID1A,Jumonji/ARID domain-containing protein 1A,Retinoblastoma-binding protein 2,RBBP-2,Histone demethylase JARID1A,Jumonji/ARID domain-containing protein 1A,Retinoblastoma-binding protein 2,RBBP-2 |
| 2 | B (A) | 2-{(R)-(3-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid | non-polymer | 522.7 | 1 | Chemie (H77) | |||
| 3 | C (A) | 2-{(R)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid | non-polymer | 524.7 | 1 | Chemie (HZV) | |||
| 4 | D (A) | 2-{(S)-(3-{[4-(dimethylamino)butanoyl]amino}phenyl)[2-(piperidin-1-yl)ethoxy]methyl}thieno[3,2-b]pyridine-7-carboxylic acid | non-polymer | 524.7 | 1 | Chemie (HZM) | |||
| 5 | E (A) | MANGANESE (II) ION | non-polymer | 54.9 | 1 | Chemie (MN) | |||
| 6 | F, G (A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 7 | H, I (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 8 | J (A) | water | water | 18.0 | 144 | Chemie (HOH) |
Sequence modifications
A: 1 - 347 (UniProt: P29375)
A: 348 - 588 (UniProt: P29375)
| PDB | External Database | Details |
|---|---|---|
| His -1 | - | expression tag |
| Asn 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 37944.8 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 1967.4 | |
| All* | Total formula weight | 39912.2 |
