MolNFT v1 · #164467 · protein
The glucuronoyl esterase OTCE15A S267A variant from opitutus terrae in complex with D-glucuronate
6SYV: “The glucuronoyl esterase OTCE15A S267A variant from opitutus terrae in complex with D-glucuronate”. X-ray diffraction, 3 ligands (GCU, BDP, MG), 4 pockets (best druggability 0.45). MolNFT v1 #164467 on GenesisL1: 3D structure…
- PDB
- 6SYV
- Type
- protein
- Length
- 402 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucuronoyl esterase OTCE15A
- UniProt
- B1ZMF4
- Ligands
- GCU, BDP, MG
- Pockets
- 4 · best druggability 0.45
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucuronoyl esterase OTCE15A | protein | 402 | 35% helix, 20% strand | B1ZMF4 |
Ligands and binding sites
- GCU · alpha-D-glucopyranuronic acid · sugar · chains A
- BDP · beta-D-glucopyranuronic acid · sugar · chains A
- MG · Magnesium ion · metal · chains A
- EDO · 1,2-ethanediol · additive · 11 copies · chains A
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 171 | 0.45 | 0.75 | 25 | PEG |
| 2 | 133 | 0.44 | 0.76 | 28 | EDO, GCU, BDP |
| 3 | 51 | 0.38 | 0.81 | 18 | empty |
| 4 | 75 | 0.33 | 0.75 | 18 | empty |
Compared structures
- 6SYV · The glucuronoyl esterase OtCE15A S267A variant from Opitutus terrae in complex with… · 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 6SYV · PDBe 6SYV · UniProt B1ZMF4
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