Research workbench
Formylglycine generating enzyme C336S mutant covalently bound to substrate peptide ctpsr
Analyse Formylglycine generating enzyme C336S mutant covalently bound to substrate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2AIJ
- Type
- protein
- Length
- 279 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfatase modifying factor 1; Ctpsr peptide from arylsulfatase a
- UniProt
- Q8NBK3, P15289
- Ligands
- NAG, CA, CL
- Pockets
- 1 · best druggability 0.48
Structure
x-ray diffraction · 2 distinct chains · 16% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| X | Sulfatase modifying factor 1 | protein | 274 | 16% helix, 20% strand | Q8NBK3 |
| P | Ctpsr peptide from arylsulfatase a | protein | 5 | 0% helix, 0% strand | P15289 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains X
- CA · Calcium ion · metal · 2 copies · chains X
- CL · Chloride ion · ion · chains X, P
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 | 103 | 0.48 | 0.81 | 20 | empty |
Interfaces
1 interface between chains.
- X–P · 529 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 2AIJ · Formylglycine generating enzyme C336S mutant covalently bound to substrate peptide CTPSR · the same entry in another collection · chain X against X, TM-score 1.00
- Q8NBK3 · AlphaFold monomer V2.0 prediction for formylglycine-generating enzyme (Q8NBK3) · a predicted model of the same protein · chain X against A, TM-score 1.00
- P15289 · AlphaFold monomer V2.0 prediction for arylsulfatase a (P15289) · a predicted model of the same protein · chain P against A, TM-score 0.83
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 Q8NBK3
- Every structure of UniProt P15289
- Elsewhere: RCSB PDB 2AIJ · PDBe 2AIJ · UniProt Q8NBK3 · UniProt P15289
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