Development of a novel class of potent and selective FIXa inhibitors. Determined by X-ray diffraction at 1.86 Å resolution. Released 3 Jun 2015.
Explore 4ZAE in 3D Show helices and sheets RCSB PDB PDBe
4ZAE contains 11 α-helices and 28 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 | 42-48 | 7 | 3 |
| β-strand | 51-54 | 4 | 3 |
| α-helix | 56-58 | 3 | |
| β-strand | 65-68 | 4 | 3 |
| β-strand | 72 | 1 | 4 |
| β-strand | 81-90 | 10 | 3 |
| β-strand | 95 | 1 | 5 |
| β-strand | 97 | 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 | 126-132 | 9 | |
| 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 | 165-170 | 6 | |
| 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 | 235-242 | 8 |
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 91-94 | 4 | |
| β-strand | 98-102 | 5 | 8 |
| α-helix | 103-105 | 3 | |
| β-strand | 106-110 | 5 | 8 |
| β-strand | 115-117 | 3 | 9 |
| β-strand | 124-126 | 3 | 9 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Coagulation factor IX | A | protein | 235 | Homo sapiens | P00740 (AlphaFold model) |
| Coagulation factor IX | B | protein | 62 | Homo sapiens | P00740 (AlphaFold model) |
>4ZAE_1 Coagulation factor IX (chains A) VVGGEDAKPGQFPWQVVLNGKVDAFCGGSIVNEKWIVTAAHCVETGVKITVVAGEHNIEE TEHTEQKRNVIRIIPHHNYNAAINKYNHDIALLELDEPLVLNSYVTPICIADKEYTNIFL KFGSGYVSGWGRVFHKGASALVLQYLRVPLVDRATCLRSTKFTIYNNMFCAGFHEGGRDS CQGDSGGPHVTEVEGTSFLTGIISWGEECAMKGKYGIYTKVSRYVNWIKEKTKLT
>4ZAE_2 Coagulation factor IX (chains B) MDVTCNIKNGRCEQFCKNSADNKVVCSCTEGYRLAENQKSCEPAVPFPCGRVSVSQTSKL TR
| ID | Name | Formula | Copies |
|---|---|---|---|
| 4M1 | 2,6-dichloro-N-[(2R)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-phenylethyl]-4-(4H… | C26 H22 Cl2 N6 O | 1 |
| NHE | 2-[N-cyclohexylamino]ethane sulfonic acid | C8 H17 N O3 S | 1 |
Water and common crystallization additives (NA) are not listed.
Development of a novel class of potent and selective FIXa inhibitors. Zhang, T., Andre, P., Bateman, T.J. et al. Bioorg Med Chem Lett (2015) 25:4945-4949. DOI 10.1016/j.bmcl.2015.04.057 · PubMed
Other PDB entries of the same protein (UniProt P00740 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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