MolNFT v1 · #164522 · protein
The wild type glucuronoyl esterase OTCE15A from opitutus terrae in complex with the aldotetrauronic acid xux
6T0I: “The wild type glucuronoyl esterase OTCE15A from opitutus terrae in complex with the aldotetrauronic acid xux”. X-ray diffraction, 4 ligands (GCV, XYP, MG), 3 pockets (best druggability 0.43). MolNFT v1 #164522 on GenesisL1: 3D…
- 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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