Research workbench
Crystal structure of the catalytic domain of the coagulation factor xia in complex with double bridged peptide F21
Analyse Crystal structure of the catalytic domain of the coagulation factor xia in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6TWC
- Type
- protein
- Length
- 257 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coagulation factor XI; Double bridged peptide F21
- EC
- 3.4.21.27
- UniProt
- P03951
- Ligands
- ACN, LTN
- Pockets
- 1 · best druggability 0.39
Structure
x-ray diffraction · 3 distinct chains · 12% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Coagulation factor XI (EC 3.4.21.27) | protein | 238 | 13% helix, 34% strand | P03951 |
| H | Coagulation factor XI (EC 3.4.21.27) | protein | 8 | 0% helix, 0% strand | P03951 |
| C | Double bridged peptide F21 | protein | 11 | 0% helix, 9% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 133 | 0.39 | 0.74 | 24 | LTN, ACN |
Interfaces
2 interfaces between chains.
- A–C · 637 Ų buried · 12 hydrogen bonds · protein-protein
- A–H · 421 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 covalent, 5 disulfide (covalent ligand, disulfide).
Compared structures
- 6TWC · Crystal Structure of the Catalytic Domain of the Coagulation Factor XIa in Complex with… · the same entry in another collection · chain H against H, TM-score 1.00
- P03951 · AlphaFold monomer V2.0 prediction for coagulation factor XI (P03951) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 P03951
- Elsewhere: RCSB PDB 6TWC · PDBe 6TWC · UniProt P03951
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