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Udp-N-acetylmuramate--alanine ligase from acinetobacter baumannii AB5075-uw with amppnp

Analyse Udp-N-acetylmuramate--alanine ligase from acinetobacter baumannii AB5075-uw… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6CAU
Type
protein
Length
307 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Udp-N-acetylmuramate--L-alanine ligase
EC
6.3.2.8
UniProt
B7GV74
Ligands
ANP, MG
Pockets
1 · best druggability 0.38

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUdp-N-acetylmuramate--L-alanine ligase (EC 6.3.2.8)protein30735% helix, 27% strandB7GV74

Ligands and binding sites

  • ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
  • MG · Magnesium ion · metal · 2 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1780.380.7821empty

Compared structures

  • 6CAU · UDP-N-acetylmuramate--alanine ligase from Acinetobacter baumannii AB5075-UW with AMPPNP · the same entry in another collection · chain A against A, TM-score 1.00
  • B7GV74 · AlphaFold monomer V2.0 prediction for udp-N-acetylmuramate--L-alanine ligase (B7GV74) · a predicted model of the same protein · chain A against A, TM-score 0.98

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