Research workbench
Crystal structure analysis of chitinase a from vibrio harveyi with novel inhibitors - complex structure with sanguinarine
Analyse Crystal structure analysis of chitinase a from vibrio harveyi with novel… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3ARV
- Type
- protein
- Length
- 575 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chitinase a
- EC
- 3.2.1.14
- UniProt
- Q9AMP1
- Ligands
- SAU
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chitinase a (EC 3.2.1.14) | protein | 575 | 30% helix, 25% strand | Q9AMP1 |
Ligands and binding sites
- SAU · 13-methyl[1,3]benzodioxolo[5,6-c][1,3]dioxolo[4,5-i]phenanthridin-13-ium · ligand · 2 copies · chains A
- GOL · Glycerol · additive · 3 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 845 | 0.75 | 0.79 | 87 | SAU, GOL |
| 2 | 121 | 0.43 | 0.77 | 24 | empty |
| 3 | 121 | 0.42 | 0.76 | 22 | empty |
| 4 | 61 | 0.24 | 0.71 | 15 | empty |
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 3ARV · Crystal Structure Analysis of Chitinase A from Vibrio harveyi with novel inhibitors… · 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 Q9AMP1
- Elsewhere: RCSB PDB 3ARV · PDBe 3ARV · UniProt Q9AMP1
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