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Crystal structure of the C89A gmp synthetase inactive mutant from plasmodium falciparum in complex with glutamine

Analyse Crystal structure of the C89A gmp synthetase inactive mutant from plasmodium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4WIO
Type: protein
Length: 525 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Gmp synthetase
EC: 6.3.5.2
UniProt: Q8IJR9
Ligands: GLN
Pockets: 6 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Gmp synthetase (EC 6.3.5.2)	protein	525	34% helix, 24% strand	Q8IJR9

Ligands and binding sites

GLN · Glutamine · ligand · chains A

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

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	1153	0.81	0.82	112	empty
2	256	0.58	0.78	29	empty
3	260	0.57	0.78	33	empty
4	75	0.40	0.79	18	GLN
5	64	0.33	0.76	18	empty

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

4WIO · Crystal structure of the C89A GMP synthetase inactive mutant from Plasmodium falciparum… · 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 Q8IJR9
Elsewhere: RCSB PDB 4WIO · PDBe 4WIO · UniProt Q8IJR9

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