Research workbench
Crystal structure of D157N mutant of chitiniphilus shinanonensis chitinase chil (cschil) complexed with N,N'-diacetylchitobiose
Analyse Crystal structure of D157N mutant of chitiniphilus shinanonensis chitinase chil… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6KXM
- Type
- protein
- Length
- 732 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Family 18 chitinase
- UniProt
- F8WSX2
- Ligands
- NAG
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 34% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Family 18 chitinase | protein | 366 | 34% helix, 22% strand | F8WSX2 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 552 | 0.69 | 0.79 | 58 | NAG |
| 2 | 602 | 0.69 | 0.78 | 58 | NAG |
| 3 | 309 | 0.54 | 0.75 | 40 | empty |
Interfaces
1 interface between chains.
- A–B · 796 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6KXM · Crystal structure of D157N mutant of Chitiniphilus shina nsis chitinase ChiL (CsChiL)… · 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 F8WSX2
- Elsewhere: RCSB PDB 6KXM · PDBe 6KXM · UniProt F8WSX2
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