3KRQ
Crystal structure of the complex of lactoperoxidase with a potent inhibitor amino-triazole at 2.2a resolution
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Lactoperoxidase | polymer | 595 | 67853.3 | 1 | UniProt (P80025) Pfam (PF03098) | Bos taurus (bovine) | LPO |
| 2 | B, D (B, D) | alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 2 | In PDB GlyTouCan (G62182OO) | |||
| 3 | C (C) | beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 586.5 | 1 | In PDB GlyTouCan (G15407YE) | |||
| 4 | E (E) | 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 1 | In PDB GlyTouCan (G07375KG) | |||
| 5 | F (A) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 1 | Chemie (HEM) | |||
| 6 | G (A) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 7 | H, I, J, K, L... (A) | IODIDE ION | non-polymer | 126.9 | 7 | Chemie (IOD) | |||
| 8 | O, P (A) | 3-AMINO-1,2,4-TRIAZOLE | non-polymer | 84.1 | 2 | Chemie (3TR) | |||
| 9 | Q (A) | (4R)-2-METHYLPENTANE-2,4-DIOL | non-polymer | 118.2 | 1 | Chemie (MRD) | |||
| 10 | R (A) | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 11 | S (A) | water | water | 18.0 | 421 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 67853.3 | |
| Branched | Number of molecules | 4 |
| Total formula weight | 2184.0 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 1937.3 | |
| All* | Total formula weight | 71974.7 |
