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Complex structure of catalytic domain of clostridium cellulovorans exgs and cellotetraose

Analyse Complex structure of catalytic domain of clostridium cellulovorans exgs and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4XWN
Type: protein
Length: 633 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Exoglucanase S
EC: 3.2.1.91
UniProt: O65986
Ligands: BGC, CA
Pockets: 3 · best druggability 0.86

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Exoglucanase S (EC 3.2.1.91)	protein	633	40% helix, 18% strand	O65986

Ligands and binding sites

BGC · beta-D-glucopyranose · sugar · 7 copies · chains A
CA · Calcium ion · metal · 2 copies · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1147	0.86	0.87	108	BGC
2	105	0.45	0.78	19	empty
3	53	0.33	0.77	14	empty

Compared structures

4XWN · Complex structure of catalytic domain of Clostridium Cellulovorans Exgs and Cellotetraose · 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 O65986
Elsewhere: RCSB PDB 4XWN · PDBe 4XWN · UniProt O65986

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