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Crystal structure of glucuronoyl esterase from cerrena unicolor inactive S270A variant in complex with the aldouronic acid UM4X
Analyse Crystal structure of glucuronoyl esterase from cerrena unicolor inactive S270A… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6RU1
- Type
- protein
- Length
- 772 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 4-O-methyl-glucuronoyl methylesterase
- EC
- 3.1.1.-
- UniProt
- A0A0A7EQR3
- Ligands
- GCV, XYP, NAG, NA
- Pockets
- 1 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | 4-O-methyl-glucuronoyl methylesterase (EC 3.1.1.-) | protein | 386 | 36% helix, 18% strand | A0A0A7EQR3 |
Ligands and binding sites
- GCV · 4-O-methyl-alpha-D-glucopyranuronic acid · ligand · chains B
- XYP · beta-D-xylopyranose · sugar · 2 copies · chains B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
- NA · Sodium ion · metal · chains B
- GOL · Glycerol · additive · 7 copies · chains A, B
- EDO · 1,2-ethanediol · 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 | 425 | 0.59 | 0.75 | 56 | empty |
Interfaces
1 interface between chains.
- A–B · 396 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 6RU1 · Crystal Structure of Glucuronoyl Esterase from Cerrena unicolor inactive S270A variant in… · 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 A0A0A7EQR3
- Elsewhere: RCSB PDB 6RU1 · PDBe 6RU1 · UniProt A0A0A7EQR3
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