Research workbench
Factor xa complexed with a synthetic inhibitor fx-2212A,(2S)-(3'- amidino-3-biphenylyl)-5-(4-PYRIDYLAMINO)PENTANOIC acid
Analyse Factor xa complexed with a synthetic inhibitor fx-2212A,(2S)-(3'… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1XKA
- Type
- protein
- Length
- 326 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Blood coagulation factor xa
- EC
- 3.4.21.6
- UniProt
- P00742
- Ligands
- 4PP, CA
- Pockets
- 2 · best druggability 0.46
Structure
x-ray diffraction · 2 distinct chains · 10% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Blood coagulation factor xa (EC 3.4.21.6) | protein | 91 | 4% helix, 29% strand | P00742 |
| C | Blood coagulation factor xa (EC 3.4.21.6) | protein | 235 | 13% helix, 37% strand | P00742 |
Ligands and binding sites
- 4PP · (2S)-(3'-amidino-3-biphenyl)-5-(4-pyridylamino)pentanoic acid · ligand · chains C
- CA · Calcium ion · metal · chains C
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 | 104 | 0.46 | 0.79 | 23 | 4PP |
| 2 | 90 | 0.37 | 0.76 | 24 | empty |
Interfaces
1 interface between chains.
- L–C · 981 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 disulfide, 1 modified (disulfide, nonstandard).
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 P00742
- Elsewhere: RCSB PDB 1XKA · PDBe 1XKA · UniProt P00742
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