Factor Xa - cation inhibitor complex. Determined by X-ray diffraction at 1.25 Å resolution. Released 13 Jan 2009.
Explore 2JKH in 3D Show helices and sheets RCSB PDB PDBe
2JKH contains 12 α-helices and 29 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 | 81-83 | 3 | 3 |
| β-strand | 85-90 | 6 | 3 |
| β-strand | 95 | 1 | 5 |
| β-strand | 100 | 1 | 5 |
| β-strand | 104-108 | 5 | 3 |
| β-strand | 115 | 1 | 6 |
| β-strand | 118 | 1 | 6 |
| α-helix | 120-121 | 2 | |
| β-strand | 122 | 1 | 2 |
| α-helix | 123-124A | 3 | |
| α-helix | 125-127 | 3 | |
| α-helix | 128-131A | 5 | |
| β-strand | 135-140 | 6 | 2 |
| β-strand | 143 | 1 | 7 |
| α-helix | 150 | 1 | |
| β-strand | 151 | 1 | 7 |
| α-helix | 152 | 1 | |
| β-strand | 154 | 1 | 4 |
| β-strand | 156-163 | 8 | 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 | 92-95 | 4 | |
| β-strand | 99-103 | 5 | 8 |
| β-strand | 106-110 | 5 | 8 |
| β-strand | 115-117 | 3 | 9 |
| β-strand | 124-126 | 3 | 9 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Activated factor xa heavy chain | A | protein | 241 | HOMO SAPIENS | P00742 (AlphaFold model) |
| Factor X light chain | L | protein | 55 | HOMO SAPIENS | P00742 (AlphaFold model) |
>2JKH_1 ACTIVATED FACTOR XA HEAVY CHAIN (chains A) IVGGQECKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRFKVRVGDRNTE QEEGGEAVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITFRMNVAPACLPERDWAESTLM TQKTGIVSGFGRTHEKGEQSTRLKMLEVPYVDRNSCKLSSSFIITQNMFCAGYDTKQEDA CQGDSGGPHVTRFKDTYFVTGIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKTRGLPKA K
>2JKH_2 FACTOR X LIGHT CHAIN (chains L) RKLCSLDNGDCDQFCHEEQNSVVCSCARGYTLADNGKACIPTGPYPCGKQTLERR
| ID | Name | Formula | Copies |
|---|---|---|---|
| CA | Calcium ion | Ca | 1 |
| BI7 | 3-[(3~{a}~{S},4~{R},8~{a}~{S},8~{b}~{R})-4-[5-(5-chloranylthiophen-2-yl)-1,2-ox… | C22 H28 Cl N4 O3 S | 1 |
Water and common crystallization additives (NA) are not listed.
Cation-Pi Interactions at the Active Site of Factor Xa: Dramatic Enhancement Upon Stepwise N-Alkylation of Ammonium Ions. Salonen, L.M., Bucher, C., Banner, D.W. et al. Angew Chem Int Ed Engl (2009) 48:811. DOI 10.1002/ANIE.200804695 · 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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