4DKT
Crystal structure of human peptidylarginine deiminase 4 in complex with N-acetyl-L-threonyl-L-alpha-aspartyl-N5-[(1E)-2-fluoroethanimidoyl]-L-ornithinamide
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 | 668 | 74592.5 | 1 | UniProt (Q9UM07) Pfam (PF08526) Pfam (PF08527) Pfam (PF03068) | Homo sapiens (human) | Protein arginine deiminase 4, HL-60 PAD, Peptidylarginine deiminase IV, Protein-arginine deiminase type IV |
| 2 | B (B) | Thr-Asp-F-amidine | polymer | 5 | 431.4 | 1 | BIRD (PRD_000781) | N-acetyl-L-threonyl-L-alpha-aspartyl-N5-[(1E)-2-fluoroethanimidoyl]-L-ornithinamide, TDFA | |
| 3 | C, D, E, F, G (A) | CALCIUM ION | non-polymer | 40.1 | 5 | Chemie (CA) | |||
| 4 | H, I (A) | SULFATE ION | non-polymer | 96.1 | 2 | Chemie (SO4) | |||
| 5 | J, K (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 6 | L, M (A, B) | water | water | 18.0 | 37 | Chemie (HOH) |
Sequence modifications
A: 1 - 663 (UniProt: Q9UM07)
| PDB | External Database | Details |
|---|---|---|
| Gly -4 | - | expression tag |
| Pro -3 | - | expression tag |
| Leu -2 | - | expression tag |
| Gly -1 | - | expression tag |
| Ser 0 | - | expression tag |
| Ser 55 | Gly 55 | conflict |
| Ala 82 | Val 82 | conflict |
| Ala 112 | Gly 112 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 75023.9 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 516.7 | |
| All* | Total formula weight | 75540.6 |
