MolNFT v1 · #53273 · protein
Factor ixa superactive double mutant
2WPI · Coagulation factor ixa light chain: “Factor ixa superactive double mutant”. X-ray diffraction, 1 ligand (CA), 2 pockets (best druggability 0.50). MolNFT v1 #53273 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2WPI
- Type
- protein
- Length
- 297 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coagulation factor ixa light chain; D-phe-pro-arg-chloromethyl ketone; Coagulation factor…
- EC
- 3.4.21.22
- UniProt
- P00740
- Ligands
- CA
- Pockets
- 2 · best druggability 0.50
Structure
x-ray diffraction · 3 distinct chains · 11% helix, 33% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| E | Coagulation factor ixa light chain (EC 3.4.21.22) | protein | 59 | 12% helix, 24% strand | P00740 |
| L | D-phe-pro-arg-chloromethyl ketone | protein | 3 | 0% helix, 33% strand | — |
| S | Coagulation factor ixa heavy chain (EC 3.4.21.22) | protein | 235 | 11% helix, 35% strand | P00740 |
Ligands and binding sites
- CA · Calcium ion · metal · chains S
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 155 | 0.50 | 0.78 | 24 | empty |
| 2 | 77 | 0.31 | 0.73 | 21 | empty |
Interfaces
2 interfaces between chains.
- E–S · 807 Ų buried · 8 hydrogen bonds · protein-protein
- L–S · 398 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 7 disulfide, 1 d-amino (disulfide, D-amino acid).
Compared structures
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P00740
- Elsewhere: RCSB PDB 2WPI · PDBe 2WPI · UniProt P00740
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