Research workbench

BTGH84 in complex with FMA34

Analyse BTGH84 in complex with FMA34 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2W67
Type: protein
Length: 1,218 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: O-glcnacase BT_4395
EC: 3.2.1.52
UniProt: Q89ZI2
Ligands: F34, CA
Pockets: 17 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	O-glcnacase BT_4395 (EC 3.2.1.52)	protein	642	43% helix, 19% strand	Q89ZI2
B	O-glcnacase BT_4395 (EC 3.2.1.52)	protein	576	46% helix, 14% strand	Q89ZI2

Ligands and binding sites

F34 · N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide · ligand · 2 copies · chains A, B
CA · Calcium ion · metal · 2 copies · chains A, B
GOL · Glycerol · additive · chains A

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

Pockets

17 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	477	0.67	0.78	50	empty
2	301	0.60	0.78	36	empty
3	74	0.60	0.89	19	F34
4	80	0.55	0.85	19	F34
5	231	0.54	0.78	27	empty

Interfaces

1 interface between chains.

A–B · 1039 Å² buried · 23 hydrogen bonds · protein-protein

Compared structures

2W67 · BtGH84 in complex with FMA34 · the same entry in another collection · chain B against B, TM-score 1.00
Q89ZI2 · AlphaFold monomer V2.0 prediction for O-glcnacase BT_4395 (Q89ZI2) · a predicted model of the same protein · chain B 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 2W67 · PDBe 2W67 · UniProt Q89ZI2

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