MolNFT v1 · #8454 · protein
Thermophilic beta-1,4-xylanase from chaetomium thermophilum
1H1A · Endo-1,4-beta-xylanase: “Thermophilic beta-1,4-xylanase from chaetomium thermophilum”. X-ray diffraction, 3 ligands (CA, UNX, SO4), 2 pockets (best druggability 0.55). MolNFT v1 #8454 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1H1A
- Type
- protein
- Length
- 382 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo-1,4-beta-xylanase
- EC
- 3.2.1.8
- UniProt
- Q8J1V6
- Ligands
- CA, UNX, SO4
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 65% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Endo-1,4-beta-xylanase (EC 3.2.1.8) | protein | 191 | 5% helix, 65% strand | Q8J1V6 |
Ligands and binding sites
- CA · Calcium ion · metal · chains A, B
- UNX · Unknown atom or ion · ion · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 273 | 0.55 | 0.76 | 34 | empty |
| 2 | 200 | 0.54 | 0.78 | 32 | GOL |
Interfaces
1 interface between chains.
- A–B · 407 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (cyclization).
Compared structures
- 1H1A · Thermophilic beta-1,4-xylanase from Chaetomium thermophilum · 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 Q8J1V6
- Elsewhere: RCSB PDB 1H1A · PDBe 1H1A · UniProt Q8J1V6
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