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Crystal structure of mycobacterium tuberculosis shikimate kinase at 2.0 ångström resolution

Analyse Crystal structure of mycobacterium tuberculosis shikimate kinase at 2.0… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2G1J
Type: protein
Length: 318 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Shikimate kinase
EC: 2.7.1.71
UniProt: P0A4Z2
Ligands: SO4
Pockets: 2 · best druggability 0.72

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Shikimate kinase (EC 2.7.1.71)	protein	159	57% helix, 12% strand	P0A4Z2

Ligands and binding sites

SO4 · Sulfate ion · ion · 3 copies · chains A, B

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	632	0.72	0.79	71	SO4
2	54	0.32	0.77	14	empty

Interfaces

1 interface between chains.

A–B · 1054 Å² buried · 8 hydrogen bonds · protein-protein

Compared structures

2G1J · Crystal structure of Mycobacterium tuberculosis Shikimate Kinase at 2.0 angstrom… · 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 2G1J · PDBe 2G1J · UniProt P0A4Z2

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