MolNFT v1 · #165629 · protein
Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, MG2+ and rb+
6U1D: “Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine, MG2+ and rb+”. X-ray diffraction, 3 ligands (ATP, MG, RB). MolNFT v1 #165629 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6U1D
- Type
- protein
- Length
- 654 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q5SHZ3
- Ligands
- ATP, MG, RB
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 326 | — | Q5SHZ3 |
| B | — | protein | 328 | — | Q5SHZ3 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
- RB · Rubidium ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6U1D · Thermus thermophilus D-alanine-D-alanine ligase in complex with ATP, D-alanine-D-alanine… · the same entry in another collection · chain A against A, 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 B against A, TM-score 0.95
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q5SHZ3
- Elsewhere: RCSB PDB 6U1D · PDBe 6U1D · UniProt Q5SHZ3
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