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The X-ray structure of hahella chejuensis family 48 glycosyl hydrolase
Analyse The X-ray structure of hahella chejuensis family 48 glycosyl hydrolase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4FUS
- Type
- protein
- Length
- 635 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rtx toxins and related CA2+-binding protein
- EC
- 3.2.1.4
- UniProt
- Q2SJA2
- Ligands
- BGC, NA, CA, PO4
- Pockets
- 4 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Rtx toxins and related CA2+-binding protein (EC 3.2.1.4) | protein | 635 | 41% helix, 15% strand | Q2SJA2 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A
- NA · Sodium ion · metal · 2 copies · chains A
- CA · Calcium ion · metal · chains A
- PO4 · Phosphate ion · ion · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 12 copies · chains A
- GOL · Glycerol · additive · 5 copies · chains A
- ACT · Acetate ion · additive · 4 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
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1135 | 0.86 | 0.87 | 110 | BGC, PEG, GOL, ACT |
| 2 | 102 | 0.67 | 0.91 | 26 | EDO |
| 3 | 65 | 0.32 | 0.75 | 14 | empty |
| 4 | 62 | 0.29 | 0.74 | 13 | EDO |
Modifications
Observed in the structure: 1 covalent, 1 modified (additive adduct, nonstandard).
Compared structures
- 4FUS · The X-ray structure of Hahella chejuensis family 48 glycosyl hydrolase · 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 Q2SJA2
- Elsewhere: RCSB PDB 4FUS · PDBe 4FUS · UniProt Q2SJA2
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