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Crystal structure of mycobacterium tuberculosis argb in complex with 2-(5-methoxy-1H-indol-3-YL)ACETONITRILE

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

PDB: 7NLW
Type: protein
Length: 290 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Acetylglutamate kinase
EC: 2.7.2.8
UniProt: P9WQ01
Ligands: UOK, SO4
Pockets: 1 · best druggability 0.60

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Acetylglutamate kinase (EC 2.7.2.8)	protein	290	43% helix, 25% strand	P9WQ01

Ligands and binding sites

UOK · 2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile · ligand · chains A
SO4 · Sulfate 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	393	0.60	0.76	44	empty

Compared structures

7NLW · Crystal structure of Mycobacterium tuberculosis ArgB in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
P9WQ01 · AlphaFold monomer V2.0 prediction for acetylglutamate kinase (P9WQ01) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 P9WQ01
Elsewhere: RCSB PDB 7NLW · PDBe 7NLW · UniProt P9WQ01

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