5N0Y
hPAD4 crystal complex with AFM-30a
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 | 670 | 74817.7 | 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, I (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 3 | C, D, E, F, G (A) | CALCIUM ION | non-polymer | 40.1 | 5 | Chemie (CA) | |||
| 4 | H (A) | ~{N}-[(1~{S})-4-(2-fluoranylethanimidoylamino)-1-(4-methoxy-1-methyl-benzimidazol-2-yl)butyl]-3-oxidanylidene-1,2-dihydroisoindole-4-carboxamide | non-polymer | 466.5 | 1 | Chemie (8FQ) | |||
| 5 | J (A) | water | water | 18.0 | 238 | Chemie (HOH) |
Sequence modifications
A: 1 - 663 (UniProt: Q9UM07)
| PDB | External Database | Details |
|---|---|---|
| Gly -6 | - | expression tag |
| Pro -5 | - | expression tag |
| Leu -4 | - | expression tag |
| Gly -3 | - | expression tag |
| Ser -2 | - | expression tag |
| Pro -1 | - | expression tag |
| Gln 0 | - | expression tag |
| Ser 55 | Gly 55 | engineered mutation |
| Ala 82 | Val 82 | engineered mutation |
| Ala 112 | Gly 112 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 74817.7 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 859.0 | |
| All* | Total formula weight | 75676.8 |
