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Crystal structure of gh family 19 chitinase from carica papaya

Analyse Crystal structure of gh family 19 chitinase from carica papaya in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3CQL
Type: protein
Length: 486 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Endochitinase
EC: 3.2.1.14
UniProt: P85084
Ligands: NAG, NDG, SO4
Pockets: 1 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 2% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Endochitinase (EC 3.2.1.14)	protein	243	46% helix, 2% strand	P85084

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar · 2 copies · chains A
SO4 · Sulfate ion · ion · 4 copies · chains A, B
GOL · Glycerol · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	716	0.72	0.79	86	NDG, NAG

Interfaces

1 interface between chains.

A–B · 750 Å² buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

3CQL · Crystal Structure of GH family 19 chitinase from Carica papaya · the same entry in another collection · chain A against A, TM-score 1.00
P85084 · AlphaFold monomer V2.0 prediction for endochitinase (P85084) · a predicted model of the same protein · chain B 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 P85084
Elsewhere: RCSB PDB 3CQL · PDBe 3CQL · UniProt P85084

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