Research workbench
The wild type glucuronoyl esterase OTCE15A from opitutus terrae in complex with the aldotetrauronic acid xux
Analyse The wild type glucuronoyl esterase OTCE15A from opitutus terrae in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6T0I
- Type
- protein
- Length
- 397 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucuronoyl esterase OTCE15A
- EC
- 3.1.1.-
- UniProt
- B1ZMF4
- Ligands
- GCV, XYP, MG, K
- Pockets
- 3 · best druggability 0.43
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucuronoyl esterase OTCE15A (EC 3.1.1.-) | protein | 397 | 36% helix, 20% strand | B1ZMF4 |
Ligands and binding sites
- GCV · 4-O-methyl-alpha-D-glucopyranuronic acid · ligand · chains A
- XYP · beta-D-xylopyranose · sugar · 3 copies · chains A
- MG · Magnesium ion · metal · chains A
- K · Potassium ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 16 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 113 | 0.43 | 0.77 | 27 | XYP, GCV, EDO |
| 2 | 142 | 0.40 | 0.74 | 25 | empty |
| 3 | 84 | 0.35 | 0.75 | 19 | EDO |
Compared structures
- 6T0I · The wild type glucuronoyl esterase OtCE15A from Opitutus terrae in complex with the… · 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 B1ZMF4
- Elsewhere: RCSB PDB 6T0I · PDBe 6T0I · UniProt B1ZMF4
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