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Cystal structure of human factor VIII C2 domain in a ternary complex with murine inhbitory antibodies 3E6 and G99
Analyse Cystal structure of human factor VIII C2 domain in a ternary complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4KI5
- Type
- protein
- Length
- 1,016 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Murine monoclonal 3E6 Fab heavy chain; Murine monoclonal 3E6 Fab light chain; Murine…
- UniProt
- P00451
- Pockets
- 13 · best druggability 0.67
Structure
x-ray diffraction · 5 distinct chains · 7% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C | Murine monoclonal 3E6 Fab heavy chain | protein | 218 | 9% helix, 51% strand | — |
| D | Murine monoclonal 3E6 Fab light chain | protein | 211 | 6% helix, 51% strand | — |
| E | Murine monoclonal G99 Fab heavy chain | protein | 224 | 8% helix, 51% strand | — |
| F | Murine monoclonal G99 Fab light chain | protein | 209 | 6% helix, 54% strand | — |
| M | Coagulation factor VIII | protein | 154 | 4% helix, 52% strand | P00451 |
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 193 | 0.67 | 0.86 | 39 | empty |
| 2 | 598 | 0.63 | 0.74 | 65 | empty |
| 3 | 89 | 0.51 | 0.83 | 21 | empty |
| 4 | 56 | 0.51 | 0.87 | 22 | empty |
| 5 | 60 | 0.49 | 0.86 | 19 | empty |
Interfaces
6 interfaces between chains.
- E–F · 2018 Ų buried · 19 hydrogen bonds · protein-protein
- C–D · 1994 Ų buried · 20 hydrogen bonds · protein-protein
- E–M · 625 Ų buried · 5 hydrogen bonds · protein-protein
- C–M · 419 Ų buried · 12 hydrogen bonds · protein-protein
- D–M · 299 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 disulfide (disulfide).
Compared structures
- 4KI5 · Cystal structure of human factor VIII C2 domain in a ternary complex with murine… · the same entry in another collection · chain C against C, TM-score 1.00
- P00451 · AlphaFold monomer V2.0 prediction for coagulation factor VIII (P00451) · a predicted model of the same protein · chain M against A, TM-score 0.99
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 P00451
- Elsewhere: RCSB PDB 4KI5 · PDBe 4KI5 · UniProt P00451
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