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Crystal structure and site-directed mutagenesis of bacillus macerans endo-1,3-1,4-beta-glucanase

Analyse Crystal structure and site-directed mutagenesis of bacillus macerans… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1MAC
Type: protein
Length: 424 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 1,3-1,4-beta-D-glucan 4-glucanohydrolase
EC: 3.2.1.73
UniProt: P23904
Ligands: CA
Pockets: 3 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 8% helix, 53% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	1,3-1,4-beta-D-glucan 4-glucanohydrolase (EC 3.2.1.73)	protein	212	8% helix, 53% strand	P23904

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains A, 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	170	0.48	0.76	25	empty
2	138	0.45	0.77	21	empty
3	97	0.34	0.73	22	empty

Interfaces

1 interface between chains.

A–B · 170 Å² buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

1MAC · Crystal structure and site-directed mutagenesis of bacillus macerans… · the same entry in another collection · chain A against A, TM-score 1.00
P23904 · AlphaFold monomer V2.0 prediction for beta-glucanase (P23904) · a predicted model of the same protein · chain A against A, TM-score 0.99

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Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P23904
Elsewhere: RCSB PDB 1MAC · PDBe 1MAC · UniProt P23904

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