Research workbench
Major aspartyl peptidase 1 from C. neoformans
Analyse Major aspartyl peptidase 1 from C. neoformans in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6R5H
- Type
- protein
- Length
- 350 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endopeptidase
- UniProt
- J9VS02
- Ligands
- NAG, NA, SO4
- Pockets
- 1 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 11% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endopeptidase | protein | 350 | 11% helix, 44% strand | J9VS02 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- SO4 · Sulfate ion · ion · 4 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 7 copies · chains A
- PGE · Triethylene glycol · additive · chains A
- EDO · 1,2-ethanediol · additive · chains A
- ACY · Acetic acid · additive · chains A
- PG4 · Tetraethylene glycol · additive · chains A
- 1PE · Pentaethylene glycol · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 337 | 0.59 | 0.76 | 45 | PEG, NA |
Modifications
Observed in the structure: 2 disulfide, 1 glycan (disulfide, N-glycosylation).
Compared structures
- 6R5H · Major aspartyl peptidase 1 from C. neoformans · the same entry in another collection · chain A against A, TM-score 1.00
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 J9VS02
- Elsewhere: RCSB PDB 6R5H · PDBe 6R5H · UniProt J9VS02
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