3HPT
Crystal structure of human FxA in complex with (S)-2-cyano-1-(2-methylbenzofuran-5-yl)-3-(2-oxo-1-(2-oxo-2-(pyrrolidin-1-yl)ethyl)azepan-3-yl)guanidine
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, C) | Coagulation factor X | polymer | 94 | 10213.3 | 2 | UniProt (P00742) Pfam (PF00008) Pfam (PF14670) | Homo sapiens (human) | Stuart factor, Stuart-Prower factor, Factor X light chain |
| 2 | B, D (B, D) | Coagulation factor X | polymer | 238 | 26871.6 | 2 | UniProt (P00742) Pfam (PF00089) | Homo sapiens (human) | Stuart factor, Stuart-Prower factor, Activated factor Xa heavy chain |
| 3 | E, F, J, T, U (A, B, D) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
| 4 | G, Q (B, D) | 1-cyano-2-(2-methyl-1-benzofuran-5-yl)-3-[(3S)-2-oxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)azepan-3-yl]guanidine | non-polymer | 436.5 | 2 | Chemie (YET) | |||
| 5 | H, R (B, D) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 6 | I, S (B, D) | SODIUM ION | non-polymer | 23.0 | 2 | Chemie (NA) | |||
| 7 | K, V (B, D) | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID | non-polymer | 195.2 | 2 | Chemie (MES) | |||
| 8 | AA, L, M, N, P... (D, B) | ACETATE ION | non-polymer | 59.0 | 8 | Chemie (ACT) | |||
| 9 | O, Z (B, D) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 2 | Chemie (DMS) | |||
| 10 | BA, CA, DA, EA (A, B, C, D) | water | water | 18.0 | 554 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 74169.9 | |
| Non-Polymers* | Number of molecules | 23 |
| Total formula weight | 2478.7 | |
| All* | Total formula weight | 76648.6 |
