MolNFT v1 · #165633 · protein
Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphate, MG2+ and K+
6U1H: “Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphate, MG2+ and K+”. X-ray diffraction, 4 ligands (ADP, MG, K). MolNFT v1 #165633 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6U1H
- Type
- protein
- Length
- 1,269 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q5SHZ3
- Ligands
- ADP, MG, K, PO4
Structure
x-ray diffraction · 4 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 324 | — | Q5SHZ3 |
| B | — | protein | 318 | — | Q5SHZ3 |
| C | — | protein | 322 | — | Q5SHZ3 |
| D | — | protein | 305 | — | Q5SHZ3 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 4 copies · chains A, B, C, D
- MG · Magnesium ion · metal · 5 copies · chains A, B, C
- K · Potassium ion · metal · 2 copies · chains A, C
- PO4 · Phosphate ion · ion · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6U1H · Thermus thermophilus D-alanine-D-alanine ligase in complex with ADP, phosphate, Mg2+ and… · 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 B against A, TM-score 0.98
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 6U1H · PDBe 6U1H · UniProt Q5SHZ3
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