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MolNFT v1 · #135580 · protein

Pseudomonas aeruginosa lpxc in complex with nvs-lpxc-01

5U3B: “Pseudomonas aeruginosa lpxc in complex with nvs-lpxc-01”. X-ray diffraction, 2 ligands (7TD, ZN). MolNFT v1 #135580 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5U3B
Type
protein
Length
591 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P47205
Ligands
7TD, ZN

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein297—P47205
B—protein294—P47205

Ligands and binding sites

  • 7TD · N-[(2S)-3-amino-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]-4-[(but-2-yn-1-yl)oxy]benzamide · ligand · 2 copies · chains A, B
  • ZN · Zinc ion · metal · 2 copies · chains A, B
  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · chains A, B

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

Compared structures

  • 5U3B · Pseudomonas aeruginosa LpxC in complex with NVS-LPXC-01 · the same entry in another collection · chain A against A, TM-score 1.00
  • P47205 · AlphaFold monomer V2.0 prediction for udp-3-O-acyl-N- acetylglucosamine deacetylase… · a predicted model of the same protein · chain A against A, TM-score 0.99

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