Research workbench
Crystal structure of the complex Fab M75- peptide
Analyse Crystal structure of the complex Fab M75- peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2HKF
- Type
- protein
- Length
- 438 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Immunoglobulin light chain Fab fragment; Immunoglobulin heavy chain Fab fragment…
- EC
- 4.2.1.1
- UniProt
- Q16790
- Pockets
- 5 · best druggability 0.56
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Immunoglobulin light chain Fab fragment | protein | 219 | 8% helix, 53% strand | — |
| H | Immunoglobulin heavy chain Fab fragment | protein | 210 | 6% helix, 54% strand | — |
| P | Carbonic anhydrase 9 (EC 4.2.1.1) | protein | 9 | 0% helix, 0% strand | Q16790 |
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 374 | 0.56 | 0.74 | 53 | empty |
| 2 | 87 | 0.34 | 0.74 | 21 | empty |
| 3 | 79 | 0.33 | 0.75 | 18 | empty |
| 4 | 74 | 0.32 | 0.74 | 18 | empty |
| 5 | 69 | 0.31 | 0.74 | 19 | empty |
Interfaces
3 interfaces between chains.
- L–H · 1792 Ų buried · 12 hydrogen bonds · protein-protein
- H–P · 544 Ų buried · 16 hydrogen bonds · protein-protein
- L–P · 201 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
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 Q16790
- Elsewhere: RCSB PDB 2HKF · PDBe 2HKF · UniProt Q16790
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