MolNFT v1 · #108808 · protein

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

4WIO: “Crystal structure of the C89A gmp synthetase inactive mutant from plasmodium falciparum in complex with…”. X-ray diffraction, 1 ligand (GLN), 6 pockets (best druggability 0.81). MolNFT v1 #108808 on GenesisL1: 3D structure, binding…

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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