MolNFT v1 · #83710 · protein
Crystal structure of ostrinia furnacalis group I chitinase catalytic domain in complex with A(GLCN)6
3WQW: “Crystal structure of ostrinia furnacalis group I chitinase catalytic domain in complex with A(GLCN)6”. X-ray diffraction, 2 ligands (GCS, NAG), 2 pockets (best druggability 0.65). MolNFT v1 #83710 on GenesisL1: 3D structure, binding…
- PDB
- 3WQW
- Type
- protein
- Length
- 383 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chitinase
- EC
- 3.2.1.14
- UniProt
- Q2V6H4
- Ligands
- GCS, NAG
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chitinase (EC 3.2.1.14) | protein | 383 | 39% helix, 21% strand | Q2V6H4 |
Ligands and binding sites
- GCS · 2-amino-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains A
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
- EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 388 | 0.65 | 0.78 | 48 | GCS, EPE |
| 2 | 52 | 0.32 | 0.77 | 15 | empty |
Modifications
Observed in the structure: 3 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 3WQW · Crystal structure of Ostrinia furnacalis Group I chitinase catalytic domain in complex… · 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 Q2V6H4
- Elsewhere: RCSB PDB 3WQW · PDBe 3WQW · UniProt Q2V6H4
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