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Crystal structure of mycobacterium tuberculosis shikimate kinase in complex with shikimate and ADP at 2.15 ångström resolution

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

PDB: 1U8A
Type: protein
Length: 163 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 0.59

Structure

x-ray diffraction · 1 distinct chain · 57% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Shikimate kinase (EC 2.7.1.71)	protein	163	57% 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 · 3 copies · 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	160	0.59	0.83	31	SKM

Compared structures

1U8A · Crystal Structure of Mycobacterium Tuberculosis Shikimate Kinase in Complex with… · 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 1U8A · PDBe 1U8A · UniProt P0A4Z2

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