MolNFT v1 · #58053 · protein
Crystal structure analysis of chitinase a from vibrio harveyi with novel inhibitors - complex structure with dequalinium
3ARP: “Crystal structure analysis of chitinase a from vibrio harveyi with novel inhibitors - complex structure with…”. X-ray diffraction, 1 ligand (DEQ), 3 pockets (best druggability 0.74). MolNFT v1 #58053 on GenesisL1: 3D structure…
- PDB
- 3ARP
- Type
- protein
- Length
- 574 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
- DEQ
- Pockets
- 3 · best druggability 0.74
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 | 574 | 30% helix, 25% strand | Q9AMP1 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 839 | 0.74 | 0.78 | 85 | DEQ, GOL |
| 2 | 133 | 0.44 | 0.76 | 24 | empty |
| 3 | 120 | 0.43 | 0.77 | 24 | empty |
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 3ARP · 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 3ARP · PDBe 3ARP · UniProt Q9AMP1
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