MolNFT v1 · #66902 · protein

Crystal structure of a prokaryotic beta-1,3-1,4-glucanase (lichenase) derived from a mouse hindgut metagenome

3I4I · 1,3-1,4-beta-glucanase: “Crystal structure of a prokaryotic beta-1,3-1,4-glucanase (lichenase) derived from a mouse hindgut metagenome”. X-ray diffraction, 1 ligand (CA), 3 pockets (best druggability 0.44). MolNFT v1 #66902 on…

PDB: 3I4I
Type: protein
Length: 429 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 1,3-1,4-beta-glucanase
EC: 3.2.1.73
UniProt: Q58WW0
Ligands: CA
Pockets: 3 · best druggability 0.44

Structure

x-ray diffraction · 2 distinct chains · 5% helix, 50% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	1,3-1,4-beta-glucanase (EC 3.2.1.73)	protein	215	5% helix, 51% strand	Q58WW0
B	1,3-1,4-beta-glucanase (EC 3.2.1.73)	protein	214	6% helix, 50% strand	Q58WW0

Ligands and binding sites

CA · Calcium ion · metal · 2 copies · chains A, B

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

Pockets

3 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	126	0.44	0.77	27	empty
2	119	0.44	0.77	22	empty
3	82	0.37	0.76	19	empty

Interfaces

1 interface between chains.

A–B · 285 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

3I4I · Crystal structure of a prokaryotic beta-1,3-1,4-glucanase (lichenase) derived from a… · 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 Q58WW0
Elsewhere: RCSB PDB 3I4I · PDBe 3I4I · UniProt Q58WW0

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