MolNFT v1 · #19356 · protein

Endoglucanase CEL5A from bacillus agaradhaerens in the tetragonal crystal form in complex with cellobiose

1QI0 · Endoglucanase B: “Endoglucanase CEL5A from bacillus agaradhaerens in the tetragonal crystal form in complex with cellobiose”. X-ray diffraction, 2 ligands (BGC, CA), 2 pockets (best druggability 0.43). MolNFT v1 #19356 on GenesisL1…

PDB: 1QI0
Type: protein
Length: 302 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Endoglucanase B
EC: 3.2.1.4
UniProt: P06565
Ligands: BGC, CA
Pockets: 2 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Endoglucanase B (EC 3.2.1.4)	protein	302	42% helix, 19% strand	P06565

Ligands and binding sites

BGC · beta-D-glucopyranose · sugar · 2 copies · chains A
CA · Calcium ion · metal · 5 copies · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	133	0.43	0.76	24	BGC, CA
2	120	0.39	0.75	19	empty

Compared structures

1QI0 · Endoglucanase CEL5A from bacillus agaradhaerens in the tetragonal crystal form in complex… · the same entry in another collection · chain A against A, TM-score 1.00
P06565 · AlphaFold monomer V2.0 prediction for endoglucanase B (P06565) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P06565
Elsewhere: RCSB PDB 1QI0 · PDBe 1QI0 · UniProt P06565

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