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Crystal structure of germacradien-4-ol synthase from streptomyces citricolor

Analyse Crystal structure of germacradien-4-ol synthase from streptomyces citricolor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5I1U
Type: protein
Length: 594 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Germacradien-4-ol synthase
UniProt: G5EKM9
Ligands: SO4
Pockets: 6 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 74% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Germacradien-4-ol synthase	protein	300	74% helix, 0% strand	G5EKM9
B	Germacradien-4-ol synthase	protein	294	73% helix, 0% strand	G5EKM9

Ligands and binding sites

SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1020	0.82	0.84	79	SO4
2	769	0.74	0.79	58	empty
3	764	0.73	0.78	59	empty
4	78	0.54	0.86	16	empty
5	109	0.54	0.83	17	empty

Interfaces

1 interface between chains.

A–B · 1643 Å² buried · 17 hydrogen bonds · protein-protein

Compared structures

5I1U · Crystal structure of germacradien-4-ol synthase from Streptomyces citricolor · 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 G5EKM9
Elsewhere: RCSB PDB 5I1U · PDBe 5I1U · UniProt G5EKM9

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