MolNFT v1 · #114625 · protein

The structure of bacillus pumilus GH48 in complex with cellobiose

5BV9 · Cellulose 1,4-beta-cellobiosidase: “The structure of bacillus pumilus GH48 in complex with cellobiose”. X-ray diffraction, 2 ligands (BGC, CA), 2 pockets (best druggability 0.84). MolNFT v1 #114625 on GenesisL1: 3D structure…

PDB: 5BV9
Type: protein
Length: 701 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cellulose 1,4-beta-cellobiosidase
EC: 3.2.1.91
UniProt: A8FDC4
Ligands: BGC, CA
Pockets: 2 · best druggability 0.84

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cellulose 1,4-beta-cellobiosidase (EC 3.2.1.91)	protein	701	36% helix, 18% strand	A8FDC4

Ligands and binding sites

BGC · beta-D-glucopyranose · sugar · 2 copies · chains A
CA · Calcium ion · metal · 3 copies · chains A
ACT · Acetate ion · additive · 6 copies · chains A
EDO · 1,2-ethanediol · additive · 3 copies · chains A
GOL · Glycerol · additive · 3 copies · chains A
MLI · Malonate ion · additive · 2 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1191	0.84	0.85	119	BGC, MLI, EDO, ACT
2	57	0.26	0.73	13	empty

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 A8FDC4
Elsewhere: RCSB PDB 5BV9 · PDBe 5BV9 · UniProt A8FDC4

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