6BGW
LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR 2-((2-chlorophenyl)(2-(4,4-difluoropiperidin-1-yl)ethoxy)methyl)-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid(Compound N41)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Lysine-specific demethylase 5A, 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 |
| 2 | B (A) | 2-{(S)-(2-chlorophenyl)[2-(4,4-difluoropiperidin-1-yl)ethoxy]methyl}-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid | non-polymer | 449.9 | 1 | Chemie (DKS) | |||
| 3 | C (A) | MANGANESE (II) ION | non-polymer | 54.9 | 1 | Chemie (MN) | |||
| 4 | D, E, F, G, H (A) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
| 5 | I (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 6 | J (A) | water | water | 18.0 | 203 | 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 | 1043.4 | |
| All* | Total formula weight | 38988.3 |
