Research workbench
Coagulation factor XI catalytic domain in complex with Fab-portion of MAA868
Analyse Coagulation factor XI catalytic domain in complex with Fab-portion of MAA868 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6R8X
- Type
- protein
- Length
- 658 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Coagulation factor XI; Anti-factor-XI Fab fragment light chain MAA868; Anti-factor-XI Fab…
- EC
- 3.4.21.27
- UniProt
- P03951
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 3 distinct chains · 10% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Coagulation factor XI (EC 3.4.21.27) | protein | 228 | 15% helix, 36% strand | P03951 |
| B | Anti-factor-XI Fab fragment light chain MAA868 | protein | 211 | 7% helix, 51% strand | — |
| C | Anti-factor-XI Fab fragment heavy chain MAA868 | protein | 219 | 8% helix, 53% strand | — |
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 665 | 0.75 | 0.81 | 76 | empty |
| 2 | 74 | 0.53 | 0.86 | 21 | empty |
| 3 | 124 | 0.48 | 0.79 | 22 | empty |
| 4 | 119 | 0.41 | 0.76 | 26 | empty |
| 5 | 168 | 0.41 | 0.73 | 27 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1619 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 764 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 526 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 6R8X · Coagulation factor XI catalytic domain in complex with Fab-portion of MAA868 · the same entry in another collection · chain A against A, 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 0.95
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 6R8X · PDBe 6R8X · UniProt P03951
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