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Structure of shikimate kinase from mycobacterium tuberculosis complexed with ADP and shikimate at 1.9 angstrons of resolution

Analyse Structure of shikimate kinase from mycobacterium tuberculosis complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2DFN
Type: protein
Length: 165 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Shikimate kinase
EC: 2.7.1.71
UniProt: P0A4Z2
Ligands: ADP, SKM, CL
Pockets: 1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 55% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Shikimate kinase (EC 2.7.1.71)	protein	165	55% helix, 12% strand	P0A4Z2

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · chains A
SKM · (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid · ligand · chains A
CL · Chloride ion · ion · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	204	0.62	0.82	36	CL, ADP, SKM

Compared structures

2DFN · Structure of shikimate kinase from Mycobacterium tuberculosis complexed with ADP and… · the same entry in another collection · chain A against A, TM-score 1.00

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Every structure of UniProt P0A4Z2
Elsewhere: RCSB PDB 2DFN · PDBe 2DFN · UniProt P0A4Z2

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