MolNFT v1 · #141930 · protein

Insect chitin deacetylase

5ZNS: “Insect chitin deacetylase”. X-ray diffraction, 2 ligands (NAG, ZN), 3 pockets (best druggability 0.58). MolNFT v1 #141930 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 5ZNS
Type: protein
Length: 381 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chitin deacetylase
UniProt: H9J9M0
Ligands: NAG, ZN
Pockets: 3 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Chitin deacetylase	protein	381	31% helix, 15% strand	H9J9M0

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
ZN · Zinc ion · metal · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	188	0.58	0.81	28	NAG
2	106	0.45	0.79	17	empty
3	102	0.37	0.75	25	empty

Modifications

Observed in the structure: 11 modified, 7 disulfide, 2 glycan (engineered, disulfide, N-glycosylation).

Compared structures

5ZNS · Insect chitin deacetylase · the same entry in another collection · chain A against A, TM-score 1.00
H9J9M0 · AlphaFold monomer V2.0 prediction for chitin deacetylase 1 (H9J9M0) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 H9J9M0
Elsewhere: RCSB PDB 5ZNS · PDBe 5ZNS · UniProt H9J9M0

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