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Structure of the thermotoga maritima family 5 endo-glucanase in complex with 1-deoxynojiromycin

Analyse Structure of the thermotoga maritima family 5 endo-glucanase in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7EC9
Type: protein
Length: 646 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Endoglucanase
UniProt: Q9X274
Ligands: NOJ
Pockets: 3 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Endoglucanase	protein	323	36% helix, 20% strand	Q9X274

Ligands and binding sites

NOJ · 1-deoxynojirimycin · ligand · 2 copies · chains A, B
IPA · Isopropyl alcohol · additive · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	617	0.72	0.79	62	NOJ
2	393	0.68	0.80	45	NOJ
3	63	0.33	0.76	14	empty

Interfaces

1 interface between chains.

A–B · 550 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

7EC9 · Structure of the Thermotoga maritima Family 5 endo-glucanase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q9X274
Elsewhere: RCSB PDB 7EC9 · PDBe 7EC9 · UniProt Q9X274

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