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MolNFT v1 · #165583 · protein

Crystal structure of fungal RNA kinase

6U00 · TRNA ligase: “Crystal structure of fungal RNA kinase”. X-ray diffraction, 1 ligand (PO4), 3 pockets (best druggability 0.68). MolNFT v1 #165583 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6U00
Type
protein
Length
421 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
TRNA ligase
EC
6.5.1.3
UniProt
P43075
Ligands
PO4
Pockets
3 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATRNA ligase (EC 6.5.1.3)protein21145% helix, 14% strandP43075
BTRNA ligase (EC 6.5.1.3)protein21046% helix, 14% strandP43075

Ligands and binding sites

  • PO4 · Phosphate ion · ion · 2 copies · chains A, B

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14620.680.8058empty
21150.360.7422PO4
3670.270.7220PO4

Interfaces

1 interface between chains.

  • A–B · 557 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 6U00 · Crystal Structure of Fungal RNA Kinase · the same entry in another collection · chain A against A, TM-score 1.00
  • P43075 · AlphaFold monomer V2.0 prediction for tRNA ligase (P43075) · a predicted model of the same protein · chain B against A, TM-score 0.96

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