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Linalool dehydratase isomerase C180A mutant

Analyse Linalool dehydratase isomerase C180A mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 6TFR
Type: protein
Length: 1,822 residues
Chains: 5
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Linalool dehydratase-isomerase protein ldi
UniProt: W8X534
Pockets: 15 · best druggability 0.78

Structure

x-ray diffraction · 5 distinct chains · 56% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Linalool dehydratase-isomerase protein ldi	protein	363	56% helix, 9% strand	W8X534
B	Linalool dehydratase-isomerase protein ldi	protein	368	57% helix, 8% strand	W8X534
C	Linalool dehydratase-isomerase protein ldi	protein	364	56% helix, 9% strand	W8X534
D	Linalool dehydratase-isomerase protein ldi	protein	364	56% helix, 9% strand	W8X534
E	Linalool dehydratase-isomerase protein ldi	protein	363	56% helix, 9% strand	W8X534

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 10 copies · chains A, D, B, E, C

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

Pockets

15 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	107	0.78	0.98	22	empty
2	95	0.77	0.97	22	empty
3	88	0.75	0.97	23	empty
4	215	0.75	0.90	35	empty
5	214	0.73	0.88	36	empty

Interfaces

5 interfaces between chains.

A–C · 1223 Å² buried · 14 hydrogen bonds · protein-protein
A–D · 1209 Å² buried · 14 hydrogen bonds · protein-protein
C–E · 1181 Å² buried · 14 hydrogen bonds · protein-protein
B–E · 1179 Å² buried · 14 hydrogen bonds · protein-protein
B–D · 1160 Å² buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

6TFR · Linalool Dehydratase Isomerase C180A mutant · 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 W8X534
Elsewhere: RCSB PDB 6TFR · PDBe 6TFR · UniProt W8X534

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