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Micobacterial Adenosine Kinase in complex with inhibitor

Analyse Micobacterial Adenosine Kinase in complex with inhibitor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4PVV
Type: protein
Length: 321 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.5
Source: Mycobacterium tuberculosis
Molecule: Adenosine kinase
EC: 2.7.1.20
UniProt: P83734
Ligands: HO4
Pockets: 3 · best druggability 0.65

Structure

x-ray diffraction · resolution 2.5 · 1 distinct chain · 41% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Adenosine kinase (EC 2.7.1.20)	protein	321	41% helix, 21% strand	P83734

Ligands and binding sites

HO4 · 5-ethynyl-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine · ligand · 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	488	0.65	0.77	46	HO4
2	123	0.50	0.80	22	empty
3	52	0.26	0.73	12	empty

Compared structures

4PVV · Micobacterial adenosine kinase in complex with inhibitor · 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 P83734
Elsewhere: RCSB PDB 4PVV · PDBe 4PVV · UniProt P83734

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