6WY0
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-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, F, H | Myeloperoxidase light chain | polymer | 105 | 11974.4 | 4 | UniProt (P05164) In PDB | Homo sapiens (Human) | MPO |
2 | B, E, G, I | Myeloperoxidase heavy chain | polymer | 467 | 53321.3 | 4 | UniProt (P05164) Pfam (PF03098) In PDB | Homo sapiens (Human) | MPO |
3 | C, K, M, N | alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1057.0 | 4 | In PDB GlyTouCan (G82348BZ) | |||
4 | J, L | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 2 | In PDB GlyTouCan (G42666HT) | |||
5 | G, I, A, D | HEME C | non-polymer | 618.5 | 4 | Chemie (HEC) | |||
6 | G, I, B, E | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 6 | Chemie (NAG) | |||
7 | G, I, B, E | CALCIUM ION | non-polymer | 40.1 | 4 | Chemie (CA) | |||
8 | E, F, G, I, B... | CHLORIDE ION | non-polymer | 35.5 | 8 | Chemie (CL) | |||
9 | E, G, I, B | 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | non-polymer | 426.6 | 4 | Chemie (UFA) | |||
10 | water | water | 18.0 | 149 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 8 |
Total formula weight | 261182.8 | |
Branched | Number of molecules | 6 |
Total formula weight | 5076.7 | |
Non-Polymers* | Number of molecules | 26 |
Total formula weight | 5951.4 | |
All* | Total formula weight | 272210.8 |