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MolNFT v1 · #83903 · protein

Crystal structure of lysz from thermus thermophilus complex with lysw

3WWN · Putative acetylglutamate kinase-like protein: “Crystal structure of lysz from thermus thermophilus complex with lysw”. X-ray diffraction, 2 ligands (ZN, SO4), 2 pockets (best druggability 0.80). MolNFT v1 #83903 on GenesisL1: 3D…

PDB
3WWN
Type
protein
Length
317 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative acetylglutamate kinase-like protein; Orff
UniProt
O50147, Q9ZND7
Ligands
ZN, SO4
Pockets
2 · best druggability 0.80

Structure

x-ray diffraction · 2 distinct chains · 30% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative acetylglutamate kinase-like proteinprotein26336% helix, 25% strandO50147
BOrffprotein540% helix, 35% strandQ9ZND7

Ligands and binding sites

  • ZN · Zinc ion · metal · chains B
  • SO4 · Sulfate ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17870.800.8388SO4
2730.410.8020empty

Interfaces

1 interface between chains.

  • A–B · 901 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 3WWN · Crystal structure of LysZ from Thermus thermophilus complex with LysW · the same entry in another collection · chain A against A, TM-score 1.00
  • O50147 · AlphaFold monomer V2.0 prediction for [lysw]-aminoadipate kinase (O50147) · a predicted model of the same protein · chain A against A, TM-score 0.98

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