3B1U
Crystal structure of human peptidylarginine deiminase 4 in complex with o-F-amidine
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) | 2-{[(2S)-1-amino-5-{[(1Z)-2-fluoroethanimidoyl]amino}-1-oxopentan-2-yl]carbamoyl}benzoic acid | non-polymer | 338.3 | 1 | Chemie (YFF) | |||
| 3 | C, D, E (A) | SULFATE ION | non-polymer | 96.1 | 3 | Chemie (SO4) | |||
| 4 | F, G, H, I, J (A) | CALCIUM ION | non-polymer | 40.1 | 5 | Chemie (CA) | |||
| 5 | K (A) | water | water | 18.0 | 174 | 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 | SEE REMARK 999 |
| Ala 82 | Val 82 | SEE REMARK 999 |
| Ala 112 | Gly 112 | SEE REMARK 999 |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 74965.9 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 826.9 | |
| All* | Total formula weight | 75792.8 |
