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Crystal structure of yqeh GTPase from bacillus anthracis with dgdp bound

Analyse Crystal structure of yqeh GTPase from bacillus anthracis with dgdp bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3H2Y
Type: protein
Length: 309 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: GTPase family protein
UniProt: Q81LQ0
Ligands: DGI
Pockets: 4 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	GTPase family protein	protein	309	28% helix, 31% strand	Q81LQ0

Ligands and binding sites

DGI · 2'-deoxyguanosine-5'-diphosphate · ligand · chains A

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

Pockets

4 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	139	0.55	0.82	34	DGI
2	104	0.51	0.82	18	empty
3	84	0.40	0.78	15	empty
4	75	0.31	0.73	22	empty

Modifications

Observed in the structure: 5 modified (engineered).

Compared structures

3H2Y · Crystal structure of YqeH GTPase from Bacillus anthracis with dGDP bound · 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 Q81LQ0
Elsewhere: RCSB PDB 3H2Y · PDBe 3H2Y · UniProt Q81LQ0

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