MolNFT v1 · #155935 · protein

Structure of intact chitinase with hevein domain from the plant simarouba glauca, known for its traditional anti-inflammatory efficacy

6LNR · Class-1 chitinase: “Structure of intact chitinase with hevein domain from the plant simarouba glauca, known for its traditional…”. X-ray diffraction, 3 ligands (NAG, MG, CL), 4 pockets (best druggability 0.51). MolNFT v1 #155935 on…

PDB: 6LNR
Type: protein
Length: 292 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Class-1 chitinase
Ligands: NAG, MG, CL
Pockets: 4 · best druggability 0.51

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Class-1 chitinase	protein	292	37% helix, 5% strand	—

Ligands and binding sites

NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A
MG · Magnesium ion · metal · 2 copies · chains A
CL · Chloride ion · ion · 3 copies · chains A

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

Pockets

4 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	224	0.51	0.75	36	CL, MG
2	74	0.34	0.75	14	MG
3	54	0.30	0.76	12	empty
4	53	0.29	0.76	16	CL

Modifications

Observed in the structure: 9 disulfide, 2 glycan (disulfide, N-glycosylation).

Compared structures

6LNR · Structure of intact chitinase with hevein domain from the plant Simarouba glauca, known… · 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
Elsewhere: RCSB PDB 6LNR · PDBe 6LNR

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