Research workbench
Crystal structure of an archaeal chitinase in the substrate-complex form (P212121)
Analyse Crystal structure of an archaeal chitinase in the substrate-complex form… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5XSX
- Type
- protein
- Length
- 970 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chitinase
- EC
- 3.2.1.14
- UniProt
- A0A161KIT4
- Ligands
- NAG, PO4
- Pockets
- 7 · best druggability 0.45
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Chitinase (EC 3.2.1.14) | protein | 485 | 35% helix, 19% strand | A0A161KIT4 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 10 copies · chains A, B
- PO4 · Phosphate ion · ion · 7 copies · chains A, B
- GOL · Glycerol · additive · 7 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 141 | 0.45 | 0.77 | 17 | empty |
| 2 | 127 | 0.42 | 0.76 | 17 | empty |
| 3 | 98 | 0.42 | 0.78 | 24 | NAG |
| 4 | 73 | 0.39 | 0.78 | 16 | empty |
| 5 | 117 | 0.39 | 0.75 | 27 | NAG, PO4 |
Interfaces
1 interface between chains.
- A–B · 198 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5XSX · Crystal structure of an archaeal chitinase in the substrate-complex form (P212121) · 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 A0A161KIT4
- Elsewhere: RCSB PDB 5XSX · PDBe 5XSX · UniProt A0A161KIT4
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