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Crystal structure of dlta protein in complex with ATP and magnesium

Analyse Crystal structure of dlta protein in complex with ATP and magnesium in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3FCC
Type
protein
Length
500 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
D-alanine--POLY(PHOSPHORIBITOL) ligase subunit 1
EC
6.1.1.13
UniProt
Q81G39
Ligands
ATP, MG
Pockets
2 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 35% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AD-alanine--POLY(PHOSPHORIBITOL) ligase subunit 1 (EC 6.1.1.13)protein50035% helix, 28% strandQ81G39

Ligands and binding sites

  • ATP · Adenosine-5'-triphosphate · ligand · chains A
  • MG · Magnesium ion · metal · 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
110340.800.82108MG, ATP
2980.420.7817empty

Compared structures

  • 3FCC · CRYSTAL STRUCTURE OF DLTA PROTEIN IN COMPLEX WITH ATP and MAGNESIUM · the same entry in another collection · chain A against A, TM-score 1.00
  • Q81G39 · AlphaFold monomer V2.0 prediction for D-alanine--D-alanyl carrier protein ligase (Q81G39) · a predicted model of the same protein · chain A against A, TM-score 0.82

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