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Shikimate kinase from acinetobacter baumannii in complex with shikimate

Analyse Shikimate kinase from acinetobacter baumannii in complex with shikimate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4Y0A
Type: protein
Length: 179 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Shikimate kinase
EC: 2.7.1.71
UniProt: B7GVP4
Ligands: SKM, SO4
Pockets: 1 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 60% helix, 12% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Shikimate kinase (EC 2.7.1.71)	protein	179	60% helix, 12% strand	B7GVP4

Ligands and binding sites

SKM · (3R,4S,5R)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid · ligand · chains A
SO4 · Sulfate 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	158	0.62	0.84	30	SKM, SO4

Compared structures

4Y0A · Shikimate kinase from Acinetobacter baumannii in complex with shikimate · 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 B7GVP4
Elsewhere: RCSB PDB 4Y0A · PDBe 4Y0A · UniProt B7GVP4

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