MolNFT v1 · #108807 · protein

Crystal structure of the gatase domain from plasmodium falciparum gmp synthetase

4WIN: “Crystal structure of the gatase domain from plasmodium falciparum gmp synthetase”. X-ray diffraction, 1 ligand (NO3), 5 pockets (best druggability 0.44). MolNFT v1 #108807 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 4WIN
Type: protein
Length: 456 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Gmp synthetase
EC: 6.3.5.2
UniProt: Q8IJR9
Ligands: NO3
Pockets: 5 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 26% helix, 31% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Gmp synthetase (EC 6.3.5.2)	protein	228	26% helix, 31% strand	Q8IJR9

Ligands and binding sites

NO3 · Nitrate ion · ion · 3 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	77	0.44	0.81	20	NO3
2	61	0.42	0.82	18	NO3
3	81	0.38	0.77	22	empty
4	52	0.28	0.75	15	empty
5	50	0.27	0.74	12	empty

Interfaces

1 interface between chains.

A–B · 902 Å² buried · 19 hydrogen bonds · protein-protein

Compared structures

4WIN · Crystal structure of the GATase domain from Plasmodium falciparum GMP synthetase · 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 4WIN · PDBe 4WIN · UniProt Q8IJR9

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