6WY7
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-41 A.K.A 7-[1-phenyl-3-({4-phenylbicyclo[2.2.2]octan-1-yl}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, C (A, D) | Myeloperoxidase light chain | polymer | 105 | 11974.4 | 2 | UniProt (P05164) | Homo sapiens (Human) | MPO |
| 2 | B, D (B, E) | Myeloperoxidase heavy chain | polymer | 467 | 53321.3 | 2 | UniProt (P05164) Pfam (PF03098) | Homo sapiens (Human) | MPO |
| 3 | E, F (C, F) | 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 | 2 | In PDB GlyTouCan (G82348BZ) | |||
| 4 | G, L, Q (A, B, E) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 5 | H, N (B, D) | HEME C | non-polymer | 618.5 | 2 | Chemie (HEC) | |||
| 6 | I, J, O (B, E) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 3 | Chemie (NAG) | |||
| 7 | K, P (B, E) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 8 | M, R (B, E) | 7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | non-polymer | 452.6 | 2 | Chemie (UFD) | |||
| 9 | S, T, U, V (A, B, D, E) | water | water | 18.0 | 949 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 130591.4 | |
| Branched | Number of molecules | 2 |
| Total formula weight | 2113.9 | |
| Non-Polymers* | Number of molecules | 12 |
| Total formula weight | 2992.3 | |
| All* | Total formula weight | 135697.6 |
