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Crystal structure of TXGH116 R786K mutant from thermoanaerobacterium xylanolyticum

Analyse Crystal structure of TXGH116 R786K mutant from thermoanaerobacterium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7W2X
Type: protein
Length: 771 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glucosylceramidase
EC: 3.2.1.45
UniProt: F6BL85
Ligands: CA, SO4
Pockets: 4 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Glucosylceramidase (EC 3.2.1.45)	protein	771	31% helix, 23% strand	F6BL85

Ligands and binding sites

CA · Calcium ion · metal · chains A
SO4 · Sulfate ion · ion · chains A
GOL · Glycerol · additive · 11 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	249	0.62	0.80	31	GOL
2	134	0.44	0.76	22	empty
3	64	0.35	0.77	13	GOL
4	77	0.35	0.76	20	empty

Compared structures

7W2X · Crystal structure of TxGH116 R786K mutant from Thermoanaerobacterium xylanolyticum · the same entry in another collection · chain A against A, TM-score 1.00

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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 F6BL85
Elsewhere: RCSB PDB 7W2X · PDBe 7W2X · UniProt F6BL85

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