MolNFT v1 · #151151 · protein
Mutant oxidoreductase fragment of mouse QSOX1 in complex with an antibody Fab
6HF1 · Sulfhydryl oxidase 1: “Mutant oxidoreductase fragment of mouse QSOX1 in complex with an antibody Fab”. X-ray diffraction, 10 pockets (best druggability 0.83). MolNFT v1 #151151 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 6HF1
- Type
- protein
- Length
- 1,318 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfhydryl oxidase 1; Fab 316 heavy chain; Fab 316 light chain
- EC
- 1.8.3.2
- UniProt
- Q8BND5
- Pockets
- 10 · best druggability 0.83
Structure
x-ray diffraction · 5 distinct chains · 13% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Sulfhydryl oxidase 1 (EC 1.8.3.2) | protein | 238 | 33% helix, 20% strand | Q8BND5 |
| C | Fab 316 heavy chain | protein | 209 | 7% helix, 53% strand | — |
| B | Fab 316 light chain | protein | 211 | 6% helix, 51% strand | — |
| F | Fab 316 heavy chain | protein | 210 | 9% helix, 53% strand | — |
| E | Fab 316 light chain | protein | 212 | 6% helix, 53% strand | — |
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 962 | 0.83 | 0.84 | 96 | empty |
| 2 | 849 | 0.81 | 0.84 | 88 | empty |
| 3 | 101 | 0.68 | 0.92 | 19 | empty |
| 4 | 184 | 0.53 | 0.78 | 28 | empty |
| 5 | 122 | 0.52 | 0.81 | 23 | empty |
Interfaces
14 interfaces between chains.
- C–B · 1730 Ų buried · 20 hydrogen bonds · protein-protein
- F–E · 1719 Ų buried · 19 hydrogen bonds · protein-protein
- C–F · 548 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 513 Ų buried · 5 hydrogen bonds · protein-protein
- D–F · 451 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 6HF1 · Mutant oxidoreductase fragment of mouse QSOX1 in complex with an antibody Fab · the same entry in another collection · chain B against B, TM-score 1.00
- Q8BND5 · AlphaFold monomer V2.0 prediction for sulfhydryl oxidase 1 (Q8BND5) · a predicted model of the same protein · chain A 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 Q8BND5
- Elsewhere: RCSB PDB 6HF1 · PDBe 6HF1 · UniProt Q8BND5
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