Research workbench

Structure of AACEL9A in complex with cellotetraose-like isofagomine

Analyse Structure of AACEL9A in complex with cellotetraose-like isofagomine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3RX7
Type: protein
Length: 530 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cellulase
EC: 3.2.1.4
UniProt: Q9AJS0
Ligands: G3I, 9MR, CA, ZN
Pockets: 1 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cellulase (EC 3.2.1.4)	protein	530	44% helix, 14% strand	Q9AJS0

Ligands and binding sites

G3I · (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside · ligand · chains A
9MR · (3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranoside · sugar · chains A
CA · Calcium ion · metal · chains A
ZN · Zinc ion · metal · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	330	0.63	0.79	43	G3I, 9MR

Compared structures

3RX7 · Structure of AaCel9A in complex with cellotetraose-like isofagomine · 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 Q9AJS0
Elsewhere: RCSB PDB 3RX7 · PDBe 3RX7 · UniProt Q9AJS0

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.