5FZK
Crystal structure of the catalytic domain of human JARID1B in complex with 3D fragment N,3-dimethyl-N-(pyridin-3-ylmethyl)-1,2-oxazole-5- carboxamide (N10051a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)
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 5B | polymer | 479 | 55214.3 | 1 | UniProt (Q9UGL1) Pfam (PF02375) Pfam (PF02373) Pfam (PF21323) Pfam (PF02928) | HOMO SAPIENS (HUMAN) | CANCER/TESTIS ANTIGEN 31, CT31, HISTONE DEMETHYLASE JARID1B, JUMONJI/ARID DOMAIN-CONTAINING PROTEIN 1B, PLU-1, RETINOBLASTOMA-BINDING PROTEIN 2 HOMOLOG 1, RBP2-H1 |
| 2 | B (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 3 | C (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 4 | D (A) | MANGANESE (II) ION | non-polymer | 54.9 | 1 | Chemie (MN) | |||
| 5 | E, F, G, H, I... (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 9 | Chemie (EDO) | |||
| 6 | N (A) | N,3-dimethyl-N-[(pyridin-3-yl)methyl]-1,2-oxazole-5-carboxamide | non-polymer | 231.3 | 1 | Chemie (NRW) | |||
| 7 | O (A) | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
| 8 | P, Q (A) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 9 | R (A) | water | water | 18.0 | 232 | Chemie (HOH) |
Sequence modifications
A: 26 - 101 (UniProt: Q9UGL1)
A: 374 - 770 (UniProt: Q9UGL1)
| PDB | External Database | Details |
|---|---|---|
| Ser -1 | - | expression tag |
| Met 0 | - | expression tag |
| PDB | External Database | Details |
|---|---|---|
| Gly 102 | - | linker |
| Gly 103 | - | linker |
| Gly 104 | - | linker |
| Gly 105 | - | linker |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 55214.3 | |
| Non-Polymers* | Number of molecules | 16 |
| Total formula weight | 1196.9 | |
| All* | Total formula weight | 56411.2 |
