MolNFT v1 · #177822 · protein

Crystal structure of mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Y-10 and ATP

7EV3 · Tryptophan--tRNA ligase: “Crystal structure of mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with Y-10 and ATP”. X-ray diffraction, 3 ligands (ATP, JE3, MG), 2 pockets (best druggability 0.73). MolNFT v1 #177822…

PDB: 7EV3
Type: protein
Length: 319 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Tryptophan--tRNA ligase
EC: 6.1.1.2
UniProt: A0A045IZS3
Ligands: ATP, JE3, MG
Pockets: 2 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 57% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tryptophan--tRNA ligase (EC 6.1.1.2)	protein	319	57% helix, 8% strand	A0A045IZS3

Ligands and binding sites

ATP · Adenosine-5'-triphosphate · ligand · chains A
JE3 · (5S)-5-[(1R)-1-(4-fluoranyl-1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4-one · ligand · chains A
MG · Magnesium ion · metal · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	380	0.73	0.84	44	ATP, MG, JE3
2	55	0.27	0.73	14	empty

Compared structures

7EV3 · Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed… · 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 A0A045IZS3
Elsewhere: RCSB PDB 7EV3 · PDBe 7EV3 · UniProt A0A045IZS3

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