MolNFT v1 · #59188 · protein
Structure of the central domain (msra) of neisseria meningitidis pilb (oxidized form)
3BQH · Peptide methionine sulfoxide reductase MSRA/MSRB: “Structure of the central domain (msra) of neisseria meningitidis pilb (oxidized form)”. X-ray diffraction, 1 pocket (best druggability 0.30). MolNFT v1 #59188 on GenesisL1: 3D…
- PDB
- 3BQH
- Type
- protein
- Length
- 162 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Peptide methionine sulfoxide reductase MSRA/MSRB
- EC
- 1.8.4.11
- UniProt
- Q9JWM8
- Pockets
- 1 · best druggability 0.30
Structure
x-ray diffraction · 1 distinct chain · 31% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Peptide methionine sulfoxide reductase MSRA/MSRB (EC 1.8.4.11) | protein | 162 | 31% helix, 25% strand | Q9JWM8 |
Ligands and binding sites
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 73 | 0.30 | 0.73 | 13 | empty |
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 3BQH · Structure of the central domain (MsrA) of Neisseria meningitidis PilB (oxidized form) · the same entry in another collection · chain A against A, TM-score 1.00
- Q9JWM8 · 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 0.94
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 Q9JWM8
- Elsewhere: RCSB PDB 3BQH · PDBe 3BQH · UniProt Q9JWM8
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