MolNFT v1 · #13105 · protein
Crystal structure of the C-terminal methionine sulfoxide reductase domain (msrb) of N. gonorrhoeae pilb
1L1D · Peptide methionine sulfoxide reductase: “Crystal structure of the C-terminal methionine sulfoxide reductase domain (msrb) of N. gonorrhoeae pilb”. X-ray diffraction, 3 pockets (best druggability 0.46). MolNFT v1 #13105 on GenesisL1…
- PDB
- 1L1D
- Type
- protein
- Length
- 291 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptide methionine sulfoxide reductase
- EC
- 1.8.4.13, 1.8.4.14
- UniProt
- P14930
- Pockets
- 3 · best druggability 0.46
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptide methionine sulfoxide reductase (EC 1.8.4.13, 1.8.4.14) | protein | 144 | 27% helix, 28% strand | P14930 |
| B | Peptide methionine sulfoxide reductase (EC 1.8.4.13, 1.8.4.14) | protein | 147 | 27% helix, 27% strand | P14930 |
Ligands and binding sites
- CAC · Cacodylate ion · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 163 | 0.46 | 0.76 | 29 | CAC |
| 2 | 78 | 0.35 | 0.76 | 25 | empty |
| 3 | 60 | 0.34 | 0.77 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 404 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 1L1D · Crystal structure of the C-terminal methionine sulfoxide reductase domain (MsrB) of N.… · the same entry in another collection · chain A against A, TM-score 1.00
- P14930 · AlphaFold monomer V2.0 prediction for peptide methionine sulfoxide reductase MSRA/MSRB… · 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 P14930
- Elsewhere: RCSB PDB 1L1D · PDBe 1L1D · UniProt P14930
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.