Research workbench
Crystal structure of the fxia catalytic domain in complex with mutated ecotin
Analyse Crystal structure of the fxia catalytic domain in complex with mutated ecotin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1XXD
- Type
- protein
- Length
- 747 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coagulation factor XI; Ecotin
- EC
- 3.4.21.27
- UniProt
- P03951, P23827
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 3 distinct chains · 8% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Coagulation factor XI (EC 3.4.21.27) | protein | 238 | 13% helix, 37% strand | P03951 |
| C | Ecotin | protein | 137 | 0% helix, 50% strand | P23827 |
| D | Ecotin | protein | 134 | 7% helix, 51% strand | P23827 |
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1073 | 0.76 | 0.78 | 85 | empty |
| 2 | 882 | 0.75 | 0.79 | 92 | empty |
| 3 | 117 | 0.50 | 0.81 | 21 | empty |
| 4 | 129 | 0.46 | 0.78 | 19 | empty |
| 5 | 120 | 0.42 | 0.76 | 20 | empty |
Interfaces
5 interfaces between chains.
- C–D · 1664 Ų buried · 30 hydrogen bonds · protein-protein
- A–C · 1115 Ų buried · 23 hydrogen bonds · protein-protein
- B–D · 1091 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 677 Ų buried · 12 hydrogen bonds · protein-protein
- A–D · 652 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 1XXD · Crystal Structure of the FXIa Catalytic Domain in Complex with mutated Ecotin · the same entry in another collection · chain D against D, TM-score 1.00
- P03951 · AlphaFold monomer V2.0 prediction for coagulation factor XI (P03951) · a predicted model of the same protein · chain B against A, TM-score 0.98
- P23827 · AlphaFold monomer V2.0 prediction for ecotin (P23827) · a predicted model of the same protein · chain D against A, TM-score 0.96
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
- Every structure of UniProt P23827
- Elsewhere: RCSB PDB 1XXD · PDBe 1XXD · UniProt P03951 · UniProt P23827
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