MolNFT v1 · #85642 · protein

A complex structure of BTGH84

4AIS · O-glcnacase BT_4395: “A complex structure of BTGH84”. X-ray diffraction, 1 ligand (GOA), 15 pockets (best druggability 0.61). MolNFT v1 #85642 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4AIS
Type: protein
Length: 1,278 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, 3.2.1.169
UniProt: Q89ZI2
Ligands: GOA
Pockets: 15 · best druggability 0.61

Structure

x-ray diffraction · 2 distinct chains · 41% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	O-glcnacase BT_4395 (EC 3.2.1.52, 3.2.1.169)	protein	637	42% helix, 18% strand	Q89ZI2
B	O-glcnacase BT_4395 (EC 3.2.1.52, 3.2.1.169)	protein	641	41% helix, 18% strand	Q89ZI2

Ligands and binding sites

GOA · Glycolic acid · ligand · 2 copies · chains A, B
GOL · Glycerol · additive · 3 copies · chains A, B

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

Pockets

15 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	325	0.61	0.78	36	empty
2	286	0.59	0.78	33	GOL
3	348	0.58	0.76	32	empty
4	76	0.56	0.86	19	GOA, GOL
5	87	0.52	0.83	20	GOA, GOL

Interfaces

1 interface between chains.

A–B · 402 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

4AIS · 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 4AIS · PDBe 4AIS · UniProt Q89ZI2

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