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Crystal structure of a novel halo-tolerant cellulase from soil metagenome

Analyse Crystal structure of a novel halo-tolerant cellulase from soil metagenome in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5I2U
Type: protein
Length: 593 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Cellulase
Ligands: MG, PO4
Pockets: 4 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Cellulase	protein	296	40% helix, 19% strand	—
B	Cellulase	protein	297	40% helix, 19% strand	—

Ligands and binding sites

MG · Magnesium ion · metal · 2 copies · chains A, B
PO4 · Phosphate ion · ion · 2 copies · chains A, B
GOL · Glycerol · additive · 9 copies · chains A, B

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

Pockets

4 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	147	0.60	0.84	26	GOL
2	146	0.48	0.78	24	GOL
3	172	0.48	0.76	25	GOL
4	52	0.25	0.73	14	empty

Interfaces

1 interface between chains.

A–B · 693 Å² buried · 6 hydrogen bonds · protein-protein

Compared structures

5I2U · Crystal structure of a novel Halo-Tolerant Cellulase from Soil Metagenome · 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
Elsewhere: RCSB PDB 5I2U · PDBe 5I2U

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