MolNFT v1 · #26070 · protein

Crystal structure of shikimate kinase from mycobacterium tuberculosis in complex with mgadp and shikimic acid

1WE2: “Crystal structure of shikimate kinase from mycobacterium tuberculosis in complex with mgadp and shikimic acid”. X-ray diffraction, 4 ligands (ADP, DHK, MG), 1 pocket (best druggability 0.66). MolNFT v1 #26070 on GenesisL1: 3D…

PDB: 1WE2
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, DHK, MG, CL
Pockets: 1 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 61% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Shikimate kinase (EC 2.7.1.71)	protein	165	61% helix, 12% strand	P0A4Z2

Ligands and binding sites

ADP · Adenosine-5'-diphosphate · ligand · chains A
DHK · 3-dehydroshikimate · ligand · chains A
MG · Magnesium ion · metal · chains A
CL · Chloride ion · ion · 2 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	234	0.66	0.84	38	MG, CL, ADP, DHK

Compared structures

1WE2 · Crystal structure of shikimate kinase from mycobacterium tuberculosis in complex with… · 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 P0A4Z2
Elsewhere: RCSB PDB 1WE2 · PDBe 1WE2 · UniProt P0A4Z2

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