MolNFT v1 · #9059 · protein
Structure of two fungal beta-1,4-galactanases: searching for the basis for temperature and pH optimum.
1HJU: “Structure of two fungal beta-1,4-galactanases: searching for the basis for temperature and pH optimum.”. X-ray diffraction, 2 ligands (NAG, SO4), 7 pockets (best druggability 0.64). MolNFT v1 #9059 on GenesisL1: 3D structure…
- PDB
- 1HJU
- Type
- protein
- Length
- 1,328 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-1,4-galactanase
- EC
- 3.2.1.89
- Ligands
- NAG, SO4
- Pockets
- 7 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Beta-1,4-galactanase (EC 3.2.1.89) | protein | 332 | 38% helix, 18% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 10 copies · chains A, B, C, D
- PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A, B, C, D
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains A, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 633 | 0.64 | 0.75 | 75 | empty |
| 2 | 186 | 0.53 | 0.78 | 27 | empty |
| 3 | 202 | 0.52 | 0.77 | 29 | empty |
| 4 | 197 | 0.52 | 0.77 | 27 | TRS |
| 5 | 179 | 0.52 | 0.78 | 26 | TRS |
Interfaces
4 interfaces between chains.
- A–D · 479 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 71 Ų buried · 1 hydrogen bond · protein-protein
- C–D · 66 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 41 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide, 4 glycan (disulfide, N-glycosylation).
Compared structures
- 1HJU · Structure of two fungal beta-1,4-galactanases: searching for the basis for temperature… · 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
- Elsewhere: RCSB PDB 1HJU · PDBe 1HJU
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