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The crystal structure of Y195I mutant alpha-cyclodextrin glycosyltransferase from paenibacillus macerans

Analyse The crystal structure of Y195I mutant alpha-cyclodextrin glycosyltransferase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3WMS
Type: protein
Length: 685 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Alpha-cyclodextrin glucanotransferase
EC: 2.4.1.19
UniProt: S5ZJ19
Ligands: CA
Pockets: 4 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 22% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Alpha-cyclodextrin glucanotransferase (EC 2.4.1.19)	protein	685	22% helix, 30% strand	S5ZJ19

Ligands and binding sites

CA · Calcium ion · metal · 2 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, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	358	0.60	0.77	37	empty
2	179	0.58	0.82	25	empty
3	89	0.55	0.85	26	empty
4	136	0.47	0.78	21	empty

Compared structures

3WMS · The crystal structure of Y195I mutant alpha-cyclodextrin glycosyltransferase from… · 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 S5ZJ19
Elsewhere: RCSB PDB 3WMS · PDBe 3WMS · UniProt S5ZJ19

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