MolNFT v1 · #53669 · protein

Crystal structure of mycobacterium smegmatis methionyl-tRNA synthetase in complex with methionine

2X1M: “Crystal structure of mycobacterium smegmatis methionyl-tRNA synthetase in complex with methionine”. X-ray diffraction, 2 ligands (MET, 2HP), 3 pockets (best druggability 0.66). MolNFT v1 #53669 on GenesisL1: 3D structure, binding…

PDB: 2X1M
Type: protein
Length: 511 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Methionyl-tRNA synthetase
EC: 6.1.1.10
UniProt: A0R3E2
Ligands: MET, 2HP
Pockets: 3 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Methionyl-tRNA synthetase (EC 6.1.1.10)	protein	511	50% helix, 16% strand	A0R3E2

Ligands and binding sites

MET · Methionine · ligand · chains A
2HP · Dihydrogenphosphate ion · ion · chains A
CXS · 3-cyclohexyl-1-propylsulfonic acid · additive · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	277	0.66	0.82	36	MET
2	168	0.56	0.80	22	empty
3	65	0.34	0.76	13	empty

Compared structures

2X1M · Crystal structure of Mycobacterium smegmatis methionyl-tRNA synthetase in complex with… · 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 A0R3E2
Elsewhere: RCSB PDB 2X1M · PDBe 2X1M · UniProt A0R3E2

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