5V9P
Crystal structure of pyrrolidine amide inhibitor [(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone (compound 35) in complex with KDM5A
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Lysine-specific demethylase 5A | polymer | 790 | 90703.9 | 1 | UniProt (P29375) Pfam (PF02375) Pfam (PF01388) Pfam (PF00628) Pfam (PF02373) Pfam (PF21323) Pfam (PF02928) In PDB | Homo sapiens (Human) | Histone demethylase JARID1A, Jumonji/ARID domain-containing protein 1A, Retinoblastoma-binding protein 2, RBBP-2, KDM5A |
| 2 | B | 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 | A | NICKEL (II) ION | non-polymer | 58.7 | 1 | Chemie (NI) | |||
| 4 | A | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 5 | A | [(3S)-3-(4-bromo-1H-pyrazol-1-yl)pyrrolidin-1-yl][3-(propan-2-yl)-1H-pyrazol-5-yl]methanone | non-polymer | 352.2 | 1 | Chemie (90S) | |||
| 6 | A | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 7 | water | water | 18.0 | 12 | Chemie (HOH) |
Sequence modifications
A: 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 | 2 |
| Total formula weight | 91573.0 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 637.8 | |
| All* | Total formula weight | 92210.8 |
