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MolNFT v1 · #141375 · protein

Crystal structure of the glycyl-tRNA synthetase (glyrs) in nanoarchaeum equitans

5Z5E · NEQ417: “Crystal structure of the glycyl-tRNA synthetase (glyrs) in nanoarchaeum equitans”. X-ray diffraction, 1 ligand (SO4), 8 pockets (best druggability 0.80). MolNFT v1 #141375 on GenesisL1: 3D structure, binding sites and…

PDB
5Z5E
Type
protein
Length
911 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NEQ417
UniProt
Q74N31
Ligands
SO4
Pockets
8 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANEQ417protein44336% helix, 29% strandQ74N31
BNEQ417protein46834% helix, 31% strandQ74N31

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 8 copies · chains A, B
  • GOL · Glycerol · additive · 4 copies · chains A, B

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

Pockets

8 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17030.800.8468empty
26320.710.7952SO4
35460.680.7953SO4
43080.680.8238empty
53460.670.8134empty

Interfaces

1 interface between chains.

  • A–B · 4276 Ų buried · 65 hydrogen bonds · protein-protein

Compared structures

  • 5Z5E · Crystal structure of the Glycyl-tRNA synthetase (GlyRS) in Nanoarchaeum equitans · the same entry in another collection · chain A against A, TM-score 1.00

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