9DPZ
Potent inhibition of the protein arginine deiminases (PAD1-4) by targeting a Ca2+ dependent allosteric binding site
This is a non-PDB format compatible entry.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Protein-arginine deiminase type-4 | polymer | 671 | 74965.9 | 1 | UniProt (Q9UM07) Pfam (PF08526) Pfam (PF08527) Pfam (PF03068) | Homo sapiens (human) | HL-60 PAD,Peptidylarginine deiminase IV,Protein-arginine deiminase type IV |
| 2 | B (A) | (2S)-2-amino-2-{1-[7-(4-bromophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl]piperidin-4-yl}-1-(pyrrolidin-1-yl)ethan-1-one | non-polymer | 511.5 | 1 | Chemie (A1A9P) | |||
| 3 | C (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 | D (A) | water | water | 18.0 | 27 | 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 |
| Ser 55 | Gly 55 | variant |
| Ala 82 | Val 82 | variant |
| Ala 112 | Gly 112 | variant |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 74965.9 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 986.0 | |
| All* | Total formula weight | 75951.9 |
