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MolNFT v1 · #181411 · protein

Crystal structure of bacterial glycyl tRNA synthetase in complex with glycine

7LU4 · Multifunctional fusion protein: “Crystal structure of bacterial glycyl tRNA synthetase in complex with glycine”. X-ray diffraction, 1 ligand (GLY), 20 pockets (best druggability 0.79). MolNFT v1 #181411 on GenesisL1: 3D structure…

PDB
7LU4
Type
protein
Length
1,955 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Multifunctional fusion protein
EC
6.1.1.14
UniProt
A0A0P6Y0P9
Ligands
GLY
Pockets
20 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 51% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMultifunctional fusion protein (EC 6.1.1.14)protein97851% helix, 18% strandA0A0P6Y0P9
BMultifunctional fusion protein (EC 6.1.1.14)protein97750% helix, 17% strandA0A0P6Y0P9

Ligands and binding sites

  • GLY · Glycine · ligand · chains B

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

Pockets

20 pockets found on a 1 Å grid, 14 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11040.790.9833empty
21160.780.9730empty
311520.760.7994empty
48480.760.8078GLY
51330.760.9434empty

Interfaces

1 interface between chains.

  • A–B · 2879 Ų buried · 39 hydrogen bonds · protein-protein

Compared structures

  • 7LU4 · Crystal structure of bacterial glycyl tRNA synthetase in complex with glycine · the same entry in another collection · chain A against A, TM-score 1.00

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