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MolNFT v1 · #165636 · protein

Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, carbonate, D-alanine-D-alanine, MG2+ and K+

6U1K: “Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, carbonate, D-alanine-D-alanine, MG2+ and…”. X-ray diffraction, 4 ligands (ADP, MG, K). MolNFT v1 #165636 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
6U1K
Type
protein
Length
1,297 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q5SHZ3
Ligands
ADP, MG, K, CO3

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein326—Q5SHZ3
B—protein324—Q5SHZ3
C—protein325—Q5SHZ3
D—protein322—Q5SHZ3

Ligands and binding sites

  • ADP · Adenosine-5'-diphosphate · ligand · 4 copies · chains A, B, C, D
  • MG · Magnesium ion · metal · 8 copies · chains A, B, C, D
  • K · Potassium ion · metal · 4 copies · chains A, B, C, D
  • CO3 · Carbonate ion · ion · 4 copies · chains A, B, C, D

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

Compared structures

  • 6U1K · Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, carbonate… · the same entry in another collection · chain D against D, TM-score 1.00
  • Q5SHZ3 · AlphaFold monomer V2.0 prediction for D-alanine--D-alanine ligase (Q5SHZ3) · a predicted model of the same protein · chain D against A, TM-score 0.96

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