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Crystal structure of salmonella typhimurium propionate kinase in complex with amppnp and propionate

Analyse Crystal structure of salmonella typhimurium propionate kinase in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4XH1
Type: protein
Length: 393 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Propionate kinase
EC: 2.7.2.15
UniProt: O06961
Ligands: ANP
Pockets: 3 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Propionate kinase (EC 2.7.2.15)	protein	393	44% helix, 19% strand	O06961

Ligands and binding sites

ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
GOL · Glycerol · additive · 2 copies · chains A
PPI · Propanoic acid · additive · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	309	0.55	0.75	38	PPI
2	195	0.47	0.74	19	empty
3	55	0.34	0.78	16	empty

Compared structures

4XH1 · Crystal structure of Salmonella typhimurium propionate kinase in complex with AMPPNP and… · the same entry in another collection · chain A against A, TM-score 1.00
O06961 · AlphaFold monomer V2.0 prediction for propionate kinase (O06961) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 O06961
Elsewhere: RCSB PDB 4XH1 · PDBe 4XH1 · UniProt O06961

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