MolNFT v1 · #154984 · protein
Crystal structure of the catalytic domain of chitinase chil from chitiniphilus shinanonensis (cschil)
6KST · Family 18 chitinase: “Crystal structure of the catalytic domain of chitinase chil from chitiniphilus shinanonensis (cschil)”. X-ray diffraction, 2 ligands (SO4, CL), 3 pockets (best druggability 0.70). MolNFT v1 #154984 on…
- PDB
- 6KST
- Type
- protein
- Length
- 739 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Family 18 chitinase
- UniProt
- F8WSX2
- Ligands
- SO4, CL
- Pockets
- 3 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Family 18 chitinase | protein | 367 | 34% helix, 23% strand | F8WSX2 |
| B | Family 18 chitinase | protein | 372 | 33% helix, 23% strand | F8WSX2 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 10 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains B
- GOL · Glycerol · additive · 4 copies · chains A, B
- MXE · 2-methoxyethanol · additive · 4 copies · chains B
- EDO · 1,2-ethanediol · additive · chains A
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 | 575 | 0.70 | 0.78 | 59 | GOL, SO4, MXE |
| 2 | 574 | 0.68 | 0.77 | 52 | GOL |
| 3 | 327 | 0.54 | 0.74 | 40 | SO4 |
Interfaces
1 interface between chains.
- A–B · 795 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 6KST · Crystal structure of the catalytic domain of chitinase ChiL from Chitiniphilus shina nsis… · 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 6KST · PDBe 6KST · UniProt F8WSX2
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