5V9T
Crystal structure of selective pyrrolidine amide KDM5a inhibitor N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide (compound 48)
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) | Lysine-specific demethylase 5A | polymer | 790 | 90703.9 | 2 | UniProt (P29375) Pfam (PF02375) Pfam (PF01388) Pfam (PF00628) Pfam (PF02373) Pfam (PF21323) Pfam (PF02928) | Homo sapiens (Human) | Histone demethylase JARID1A, Jumonji/ARID domain-containing protein 1A, Retinoblastoma-binding protein 2, RBBP-2, KDM5A |
| 2 | C (G) | Lysine-specific demethylase 5A | polymer | 10 | 869.1 | 1 | Homo sapiens (Human) | Histone demethylase JARID1A, Jumonji/ARID domain-containing protein 1A, Retinoblastoma-binding protein 2, RBBP-2, KDM5A | |
| 3 | D, H (A, B) | NICKEL (II) ION | non-polymer | 58.7 | 2 | Chemie (NI) | |||
| 4 | E, F, I, J (A, B) | ZINC ION | non-polymer | 65.4 | 4 | Chemie (ZN) | |||
| 5 | G, K (A, B) | N-{(3R)-1-[3-(propan-2-yl)-1H-pyrazole-5-carbonyl]pyrrolidin-3-yl}cyclopropanecarboxamide | non-polymer | 290.4 | 2 | Chemie (90V) | |||
| 6 | L, M (A, B) | water | water | 18.0 | 14 | Chemie (HOH) |
Sequence modifications
A, B: 12 - 797 (UniProt: P29375)
| PDB | External Database | Details |
|---|---|---|
| Ser 11 | - | expression tag |
| Gly 798 | - | expression tag |
| Asn 799 | - | expression tag |
| Ser 800 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 3 |
| Total formula weight | 182276.9 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 959.7 | |
| All* | Total formula weight | 183236.7 |
