MolNFT v1 · #105172 · protein

Co-crystal structure of chitosanase OU01 with substrate

4QWP: “Co-crystal structure of chitosanase OU01 with substrate”. X-ray diffraction, 1 ligand (GCS), 3 pockets (best druggability 0.61). MolNFT v1 #105172 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4QWP
Type: protein
Length: 474 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Chitosanase
EC: 3.2.1.132
UniProt: Q8KZM5
Ligands: GCS
Pockets: 3 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 59% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Chitosanase (EC 3.2.1.132)	protein	237	59% helix, 7% strand	Q8KZM5

Ligands and binding sites

GCS · 2-amino-2-deoxy-beta-D-glucopyranose · sugar · 11 copies · chains A, B
ACT · Acetate ion · additive · chains A
GOL · Glycerol · additive · chains B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	232	0.61	0.81	40	GCS
2	281	0.59	0.79	41	empty
3	242	0.58	0.79	37	GCS

Interfaces

1 interface between chains.

A–B · 447 Å² buried · 4 hydrogen bonds · protein-protein

Compared structures

4QWP · co-crystal structure of chitosanase OU01 with substrate · 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 Q8KZM5
Elsewhere: RCSB PDB 4QWP · PDBe 4QWP · UniProt Q8KZM5

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