MolNFT v1 · #105967 · protein
Crystal structure of the catalytic domain of a family GH18 chitinase from fern, peteris ryukyuensis
4RL3 · Chitinase a: “Crystal structure of the catalytic domain of a family GH18 chitinase from fern, peteris ryukyuensis”. X-ray diffraction, 1 ligand (MG), 4 pockets (best druggability 0.45). MolNFT v1 #105967 on GenesisL1: 3D structure…
- PDB
- 4RL3
- Type
- protein
- Length
- 542 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chitinase a
- EC
- 3.2.1.14
- UniProt
- Q0WYK2
- Ligands
- MG
- Pockets
- 4 · best druggability 0.45
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Chitinase a (EC 3.2.1.14) | protein | 271 | 41% helix, 21% strand | Q0WYK2 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B
- ACT · Acetate ion · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 143 | 0.45 | 0.76 | 30 | EDO, ACT, MG |
| 2 | 118 | 0.44 | 0.77 | 23 | empty |
| 3 | 110 | 0.38 | 0.75 | 29 | EDO, ACT, MG |
| 4 | 55 | 0.36 | 0.79 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 365 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 4RL3 · Crystal Structure of the Catalytic Domain of a family GH18 Chitinase from fern, Peteris… · 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 Q0WYK2
- Elsewhere: RCSB PDB 4RL3 · PDBe 4RL3 · UniProt Q0WYK2
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