MolNFT v1 · #134283 · protein
Structure of the bmerb domain of mical-3
5SZG · Protein-methionine sulfoxide oxidase MICAL3: “Structure of the bmerb domain of mical-3”. X-ray diffraction, 4 pockets (best druggability 0.50). MolNFT v1 #134283 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 5SZG
- Type
- protein
- Length
- 262 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein-methionine sulfoxide oxidase MICAL3
- EC
- 1.14.13.-
- UniProt
- Q7RTP6
- Pockets
- 4 · best druggability 0.50
Structure
x-ray diffraction · 2 distinct chains · 90% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein-methionine sulfoxide oxidase MICAL3 (EC 1.14.13.-) | protein | 133 | 90% helix, 0% strand | Q7RTP6 |
| B | Protein-methionine sulfoxide oxidase MICAL3 (EC 1.14.13.-) | protein | 129 | 89% helix, 0% strand | Q7RTP6 |
Ligands and binding sites
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 179 | 0.50 | 0.77 | 23 | empty |
| 2 | 105 | 0.42 | 0.77 | 16 | empty |
| 3 | 89 | 0.33 | 0.74 | 14 | empty |
| 4 | 53 | 0.26 | 0.73 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1267 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 11 modified (engineered).
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 Q7RTP6
- Elsewhere: RCSB PDB 5SZG · PDBe 5SZG · UniProt Q7RTP6
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