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A complex structure of BTGH84

Analyse A complex structure of BTGH84 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4AIU
Type: protein
Length: 576 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: O-glcnacase BT_4395
EC: 3.2.1.52, 3.2.1.169
UniProt: Q89ZI2
Ligands: GC3, CA
Pockets: 8 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	O-glcnacase BT_4395 (EC 3.2.1.52, 3.2.1.169)	protein	576	46% helix, 14% strand	Q89ZI2

Ligands and binding sites

GC3 · (3ar,5r,6s,7r,7ar)-2,5-bis(hydroxymethyl)-5,6,7,7A-tetrahydro-3AH-pyrano[3,2-d][1,3]oxazole-6,7-diol · ligand · chains A
CA · Calcium ion · metal · chains A

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

Pockets

8 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	94	0.55	0.84	20	GC3
2	70	0.38	0.78	17	empty
3	128	0.38	0.73	19	empty
4	83	0.36	0.76	22	empty
5	80	0.34	0.74	18	empty

Compared structures

4AIU · A complex structure of BtGH84 · the same entry in another collection · chain A against A, TM-score 1.00
Q89ZI2 · AlphaFold monomer V2.0 prediction for O-glcnacase BT_4395 (Q89ZI2) · a predicted model of the same protein · 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 Q89ZI2
Elsewhere: RCSB PDB 4AIU · PDBe 4AIU · UniProt Q89ZI2

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