Research workbench

CEL6A D221A mutant

Analyse CEL6A D221A mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1HGY
Type: protein
Length: 726 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cellobiohydrolase CEL6A (formerly called cbh II)
EC: 3.2.1.91
UniProt: P07987
Ligands: MAN, NAG, GLC, BMA
Pockets: 3 · best druggability 0.75

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Cellobiohydrolase CEL6A (formerly called cbh II) (EC 3.2.1.91)	protein	363	36% helix, 12% strand	P07987

Ligands and binding sites

MAN · alpha-D-mannopyranose · sugar · 13 copies · chains A, B
NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A
BMA · beta-D-mannopyranose · sugar · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	408	0.75	0.85	49	GLC
2	528	0.74	0.82	51	empty
3	100	0.35	0.74	19	NAG

Interfaces

1 interface between chains.

A–B · 65 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 18 glycan, 4 disulfide (O-glycosylation, disulfide, N-glycosylation).

Compared structures

1HGY · CEL6A D221A mutant · the same entry in another collection · chain A against A, TM-score 1.00
P07987 · AlphaFold monomer V2.0 prediction for exoglucanase 2 (P07987) · 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 P07987
Elsewhere: RCSB PDB 1HGY · PDBe 1HGY · UniProt P07987

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