MolNFT v1 · #177606 · protein

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

7ENS · Tryptophan--tRNA ligase: “Crystal structure of mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed with indolmycin and ATP”. X-ray diffraction, 3 ligands (ATP, 5BX, MG), 3 pockets (best druggability 0.73). MolNFT v1…

PDB: 7ENS
Type: protein
Length: 330 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, 5BX, MG
Pockets: 3 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 58% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Tryptophan--tRNA ligase (EC 6.1.1.2)	protein	330	58% helix, 8% strand	A0A045IZS3

Ligands and binding sites

ATP · Adenosine-5'-triphosphate · ligand · chains A
5BX · (5S)-5-[(1R)-1-(1H-indol-3-yl)ethyl]-2-(methylamino)-1,3-oxazol-4(5H)-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

3 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	478	0.73	0.83	48	ATP, MG, 5BX
2	68	0.36	0.77	15	empty
3	67	0.29	0.73	19	empty

Compared structures

7ENS · Crystal structure of Mycobacterium tuberculosis tryptophanyl-tRNA synthetase complexed… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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Every structure of UniProt A0A045IZS3
Elsewhere: RCSB PDB 7ENS · PDBe 7ENS · UniProt A0A045IZS3

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