MolNFT v1 · #183324 · protein

Crystal structure of mycobacterium tuberculosis argb in complex with methyl 4-hydroxy-3-iodobenzoate

7NLS · Acetylglutamate kinase: “Crystal structure of mycobacterium tuberculosis argb in complex with methyl 4-hydroxy-3-iodobenzoate”. X-ray diffraction, 2 ligands (98T, SO4), 2 pockets (best druggability 0.65). MolNFT v1 #183324 on…

PDB: 7NLS
Type: protein
Length: 291 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: 98T, SO4
Pockets: 2 · best druggability 0.65

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 24% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Acetylglutamate kinase (EC 2.7.2.8)	protein	291	43% helix, 24% strand	P9WQ01

Ligands and binding sites

98T · methyl 3-iodanyl-4-oxidanyl-benzoate · ligand · chains A
SO4 · Sulfate ion · ion · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	425	0.65	0.78	37	empty
2	78	0.52	0.84	23	empty

Compared structures

7NLS · Crystal structure of Mycobacterium tuberculosis ArgB in complex with methyl… · 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 7NLS · PDBe 7NLS · UniProt P9WQ01

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