MolNFT v1 · #136653 · protein
Immune evasion by a staphylococcal peroxidase inhibitor that blocks myeloperoxidase
5UZU · Uncharacterised protein: “Immune evasion by a staphylococcal peroxidase inhibitor that blocks myeloperoxidase”. X-ray diffraction, 4 ligands (NAG, BMA, CA), 5 pockets (best druggability 0.84). MolNFT v1 #136653 on GenesisL1: 3D…
- PDB
- 5UZU
- Type
- protein
- Length
- 646 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterised protein; Myeloperoxidase
- EC
- 1.11.2.2
- UniProt
- W8TS31, P05164
- Ligands
- NAG, BMA, CA, CL
- Pockets
- 5 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | Uncharacterised protein | protein | 68 | 47% helix, 13% strand | W8TS31 |
| A | Myeloperoxidase (EC 1.11.2.2) | protein | 578 | 39% helix, 9% strand | P05164 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains B, A
- BMA · beta-D-mannopyranose · sugar
- CA · Calcium ion · metal · chains A
- CL · Chloride ion · ion · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
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 | 261 | 0.84 | 0.95 | 39 | empty |
| 2 | 59 | 0.39 | 0.80 | 21 | empty |
| 3 | 71 | 0.33 | 0.76 | 18 | empty |
| 4 | 59 | 0.32 | 0.76 | 13 | empty |
| 5 | 61 | 0.30 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- B–A · 1630 Ų buried · 23 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 2 glycan, 1 modified (disulfide, N-glycosylation, oxidation).
Compared structures
- 5UZU · Immune evasion by a Staphylococcal Peroxidase Inhibitor that blocks myeloperoxidase · the same entry in another collection · chain B against B, TM-score 1.00
- P05164 · AlphaFold monomer V2.0 prediction for myeloperoxidase (P05164) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 W8TS31
- Every structure of UniProt P05164
- Elsewhere: RCSB PDB 5UZU · PDBe 5UZU · UniProt W8TS31 · UniProt P05164
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