MolNFT v1 · #189893 · protein

Crystal structure of TXGH116 R786A mutant from thermoanaerobacterium xylanolyticum with glucose

7W2V · Glucosylceramidase: “Crystal structure of TXGH116 R786A mutant from thermoanaerobacterium xylanolyticum with glucose”. X-ray diffraction, 2 ligands (BGC, CA), 6 pockets (best druggability 0.63). MolNFT v1 #189893 on GenesisL1: 3D…

PDB: 7W2V
Type: protein
Length: 768 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: BGC, CA
Pockets: 6 · best druggability 0.63

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	768	31% helix, 23% strand	F6BL85

Ligands and binding sites

BGC · beta-D-glucopyranose · sugar · chains A
CA · Calcium ion · metal · chains A
GOL · Glycerol · additive · 8 copies · chains A
EDO · 1,2-ethanediol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 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	187	0.63	0.84	29	BGC, GOL
2	135	0.44	0.76	22	empty
3	75	0.35	0.76	21	empty
4	64	0.34	0.77	14	GOL
5	86	0.34	0.74	25	GOL

Compared structures

7W2V · Crystal structure of TxGH116 R786A mutant from Thermoanaerobacterium xylanolyticum with… · 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 F6BL85
Elsewhere: RCSB PDB 7W2V · PDBe 7W2V · UniProt F6BL85

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