MolNFT v1 · #103875 · protein

Halothermothrix orenii beta-glucosidase a, glucose complex

4PTX · Glycoside hydrolase family 1: “Halothermothrix orenii beta-glucosidase a, glucose complex”. X-ray diffraction, 1 ligand (BGC), 6 pockets (best druggability 0.80). MolNFT v1 #103875 on GenesisL1: 3D structure, binding sites and…

PDB: 4PTX
Type: protein
Length: 890 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Glycoside hydrolase family 1
EC: 3.2.1.21
UniProt: B8CYA8
Ligands: BGC
Pockets: 6 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Glycoside hydrolase family 1 (EC 3.2.1.21)	protein	445	44% helix, 17% strand	B8CYA8

Ligands and binding sites

BGC · beta-D-glucopyranose · sugar · 2 copies · chains A, B
CAC · Cacodylate ion · additive · 2 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	268	0.80	0.92	41	empty
2	598	0.72	0.79	56	BGC
3	504	0.71	0.80	40	BGC
4	279	0.56	0.77	44	empty
5	199	0.49	0.76	26	empty

Interfaces

1 interface between chains.

A–B · 600 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

4PTX · Halothermothrix orenii beta-glucosidase A, glucose complex · 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 B8CYA8
Elsewhere: RCSB PDB 4PTX · PDBe 4PTX · UniProt B8CYA8

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