MolNFT v1 · #86078 · protein

Thermobifida fusca cellobiohydrolase CEL6B catalytic mutant D274A cocrystallized with cellobiose

4AVO · Beta-1,4-exocellulase: “Thermobifida fusca cellobiohydrolase CEL6B catalytic mutant D274A cocrystallized with cellobiose”. X-ray diffraction, 2 ligands (BGC, CA), 3 pockets (best druggability 0.80). MolNFT v1 #86078 on GenesisL1: 3D…

PDB: 4AVO
Type: protein
Length: 420 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Beta-1,4-exocellulase
EC: 3.2.1.91
UniProt: Q60029
Ligands: BGC, CA
Pockets: 3 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 13% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Beta-1,4-exocellulase (EC 3.2.1.91)	protein	420	32% helix, 13% strand	Q60029

Ligands and binding sites

BGC · beta-D-glucopyranose · sugar · 6 copies · chains A
CA · Calcium ion · metal · chains A
ACT · Acetate ion · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	514	0.80	0.87	61	BGC
2	57	0.37	0.79	14	empty
3	58	0.36	0.79	15	empty

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

4AVO · Thermobifida fusca cellobiohydrolase Cel6B catalytic mutant D274A cocrystallized with… · 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 Q60029
Elsewhere: RCSB PDB 4AVO · PDBe 4AVO · UniProt Q60029

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