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Crystal structure of T. gondii adenosine kinase complexed with AMP-pcp

Analyse Crystal structure of T. gondii adenosine kinase complexed with AMP-pcp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2ABS
Type: protein
Length: 340 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Adenosine kinase
EC: 2.7.1.20
UniProt: Q9TVW2
Ligands: ACP, NA, CL
Pockets: 2 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 23% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Adenosine kinase (EC 2.7.1.20)	protein	340	42% helix, 23% strand	Q9TVW2

Ligands and binding sites

ACP · Phosphomethylphosphonic acid adenylate ester · ligand · chains A
NA · Sodium ion · metal · chains A
CL · Chloride ion · ion · chains A

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

Pockets

2 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	592	0.72	0.80	61	CL, ACP
2	51	0.29	0.76	19	empty

Compared structures

2ABS · Crystal structure of T. gondii adenosine kinase complexed with AMP-PCP · the same entry in another collection · chain A against A, TM-score 1.00
Q9TVW2 · AlphaFold monomer V2.0 prediction for adenosine kinase (Q9TVW2) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q9TVW2
Elsewhere: RCSB PDB 2ABS · PDBe 2ABS · UniProt Q9TVW2

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