Factor Xa in Complex with the Inhibitor APIXABAN (BMS-562247) AKA 1-(4-METHOXYPHENYL)-7-OXO-6-(4-(2-OXO-1-PIPERIDINYL)PHENYL)-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[3, 4-C]PYRIDINE-3-CARBOXAMIDE. Determined by X-ray diffraction at 2.3 Å resolution. Released 16 Oct 2007.
Explore 2P16 in 3D Show helices and sheets RCSB PDB PDBe
2P16 contains 11 α-helices and 26 β-strands across 2 chains. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| β-strand | 17 | 1 | 1 |
| β-strand | 20-21 | 2 | 2 |
| α-helix | 22-23 | 2 | |
| β-strand | 30-34 | 5 | 3 |
| β-strand | 40-46 | 7 | 3 |
| β-strand | 51-54 | 4 | 3 |
| α-helix | 56-60 | 5 | |
| β-strand | 65-68 | 4 | 3 |
| β-strand | 72 | 1 | 4 |
| β-strand | 81-90 | 10 | 3 |
| β-strand | 104-108 | 5 | 3 |
| β-strand | 115 | 1 | 5 |
| β-strand | 118 | 1 | 5 |
| α-helix | 120-121 | 2 | |
| β-strand | 122 | 1 | 2 |
| α-helix | 123 | 1 | |
| α-helix | 125-127 | 3 | |
| α-helix | 128-131A | 5 | |
| β-strand | 135-140 | 6 | 2 |
| β-strand | 143 | 1 | 6 |
| β-strand | 151 | 1 | 6 |
| β-strand | 154 | 1 | 4 |
| β-strand | 156-162 | 7 | 2 |
| α-helix | 165-171 | 7 | |
| β-strand | 180-183 | 4 | 2 |
| β-strand | 189 | 1 | 1 |
| β-strand | 198-203 | 6 | 2 |
| β-strand | 206-215 | 10 | 2 |
| β-strand | 226-230 | 5 | 2 |
| α-helix | 231-234 | 4 | |
| α-helix | 235-241 | 7 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 88-90 | 3 | |
| α-helix | 92-95 | 4 | |
| β-strand | 99-103 | 5 | 7 |
| β-strand | 106-110 | 5 | 7 |
| β-strand | 115-117 | 3 | 8 |
| β-strand | 124-126 | 3 | 8 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) | A | protein | 234 | Homo sapiens | P00742 (AlphaFold model) |
| Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) | L | protein | 52 | Homo sapiens | P00742 (AlphaFold model) |
>2P16_1 Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) (chains A) IVGGQECKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRFKVRVGDRNTE QEEGGEAVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITFRMNVAPACLPERDWAESTLM TQKTGIVSGFGRTHEKGRQSTRLKMLEVPYVDRNSCKLSSSFIITQNMFCAGYDTKQEDA CQGDSGGPHVTRFKDTYFVTGIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKT
>2P16_2 Coagulation factor X (EC 3.4.21.6) (Stuart factor) (Stuart-Prower factor) (chains L) KLCSLDNGDCDQFCHEEQNSVVCSCARGYTLADNGKACIPTGPYPCGKQTLE
| ID | Name | Formula | Copies |
|---|---|---|---|
| CA | Calcium ion | Ca | 1 |
| GG2 | 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-… | C25 H25 N5 O4 | 1 |
Discovery of 1-(4-Methoxyphenyl)-7-oxo-6-(4-(2-oxopiperidin-1-yl)phenyl)-4,5,6,7-tetrahydro- 1H-pyrazolo[3,4-c]pyridine-3-carboxamide (Apixaban, BMS-562247), a Highly Potent, Selective, Efficacious, and Orally Bioavailable Inhibitor of Blood Coagulation Factor Xa. Pinto, D.J., Orwat, M.J., Koch, S. et al. J Med Chem (2007) 50:5339-5356. DOI 10.1021/jm070245n · PubMed
Other PDB entries of the same protein (UniProt P00742 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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