MolNFT v1 · #23699 · protein

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

1U8A: “Crystal structure of mycobacterium tuberculosis shikimate kinase in complex with shikimate and ADP at 2.15…”. X-ray diffraction, 3 ligands (ADP, SKM, CL), 1 pocket (best druggability 0.59). MolNFT v1 #23699 on GenesisL1: 3D…

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

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 1U8A · PDBe 1U8A · UniProt P0A4Z2

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