5WDJ
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-6 AKA 7-(BENZYLOXY)-1H-[1,2, 3]TRIAZOLO[4,5-D]PYRIMIDIN-5-AMINE
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, D | Myeloperoxidase | polymer | 105 | 11974.4 | 2 | UniProt (P05164) In PDB | Homo sapiens (Human) | MPO |
2 | B, E | Myeloperoxidase | polymer | 467 | 53305.3 | 2 | UniProt (P05164) Pfam (PF03098) In PDB | Homo sapiens (Human) | MPO |
3 | C | alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 545.5 | 1 | In PDB GlyTouCan (G29301NP) | |||
4 | F | 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) | |||
5 | A, E | 7-(benzyloxy)-1H-[1,2,3]triazolo[4,5-d]pyrimidin-5-amine | non-polymer | 242.2 | 2 | Chemie (AEY) | |||
6 | A, B, D, E | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
7 | A, D | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
8 | A, D | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
9 | B, E | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 5 | Chemie (NAG) | |||
10 | B, E | alpha-L-fucopyranose | non-polymer | 164.2 | 2 | Chemie (FUC) | |||
11 | B, E | alpha-D-mannopyranose | non-polymer | 180.2 | 3 | Chemie (MAN) | |||
12 | water | water | 18.0 | 522 | Chemie (HOH) |
Sequence modifications
B, E: 113 - 578 (UniProt: P05164)
PDB | External Database | Details |
---|---|---|
Ala 112 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 130559.4 | |
Branched | Number of molecules | 2 |
Total formula weight | 1132.0 | |
Non-Polymers* | Number of molecules | 20 |
Total formula weight | 3914.2 | |
All* | Total formula weight | 135605.6 |