4X8C
Crystal structure of human peptidylarginine deiminase type4 (PAD4) in complex with GSK147
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | Protein-arginine deiminase type-4 | polymer | 671 | 74917.8 | 1 | UniProt (Q9UM07) Pfam (PF08526) Pfam (PF08527) Pfam (PF03068) In PDB | Homo sapiens (Human) | HL-60 PAD,Peptidylarginine deiminase IV,Protein-arginine deiminase type IV |
| 2 | A | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 3 | A | [(3S,4R)-3-amino-4-hydroxypiperidin-1-yl]{2-[1-(cyclopropylmethyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methyl-1H-benzimidazol-5-yl}methanone | non-polymer | 474.6 | 1 | Chemie (3YZ) | |||
| 4 | water | water | 18.0 | 23 | Chemie (HOH) |
Sequence modifications
A: 1 - 663 (UniProt: Q9UM07)
| PDB | External Database | Details |
|---|---|---|
| Gly -7 | - | expression tag |
| Pro -6 | - | expression tag |
| Leu -5 | - | expression tag |
| Gly -4 | - | expression tag |
| Ser -3 | - | expression tag |
| Pro -2 | - | expression tag |
| Glu -1 | - | expression tag |
| Phe 0 | - | expression tag |
| Ala 645 | Cys 645 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 74917.8 | |
| Non-Polymers* | Number of molecules | 3 |
| Total formula weight | 554.7 | |
| All* | Total formula weight | 75472.5 |
