Research workbench
Sulfur transferase ttua in complex with sulfur carrier ttub
Analyse Sulfur transferase ttua in complex with sulfur carrier ttub in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5GHA
- Type
- protein
- Length
- 1,476 residues
- Chains
- 8
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sulfur transferase ttua; Sulfur carrier ttub
- UniProt
- Q72LF3, Q72LF4
- Ligands
- ZN, SO4
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 8 distinct chains · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sulfur transferase ttua | protein | 305 | 49% helix, 13% strand | Q72LF3 |
| D | Sulfur transferase ttua | protein | 310 | 49% helix, 13% strand | Q72LF3 |
| B | Sulfur transferase ttua | protein | 309 | 49% helix, 13% strand | Q72LF3 |
| C | Sulfur transferase ttua | protein | 302 | 49% helix, 13% strand | Q72LF3 |
| E | Sulfur carrier ttub | protein | 62 | 16% helix, 39% strand | Q72LF4 |
| H | Sulfur carrier ttub | protein | 64 | 16% helix, 44% strand | Q72LF4 |
| F | Sulfur carrier ttub | protein | 69 | 20% helix, 42% strand | Q72LF4 |
| G | Sulfur carrier ttub | protein | 55 | 15% helix, 31% strand | Q72LF4 |
Ligands and binding sites
- ZN · Zinc ion · metal · 8 copies · chains A, D, B, C
- SO4 · Sulfate ion · ion · 3 copies · chains A, C
- EDO · 1,2-ethanediol · additive · 6 copies · chains D, H, B, C, A, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 810 | 0.81 | 0.84 | 82 | empty |
| 2 | 922 | 0.78 | 0.80 | 79 | empty |
| 3 | 919 | 0.77 | 0.80 | 73 | EDO |
| 4 | 851 | 0.77 | 0.80 | 78 | SO4 |
| 5 | 255 | 0.70 | 0.86 | 44 | empty |
Interfaces
9 interfaces between chains.
- D–C · 1234 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 1225 Ų buried · 8 hydrogen bonds · protein-protein
- A–E · 1065 Ų buried · 9 hydrogen bonds · protein-protein
- D–H · 1063 Ų buried · 13 hydrogen bonds · protein-protein
- C–G · 1062 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 5GHA · Sulfur Transferase TtuA in complex with Sulfur Carrier TtuB · the same entry in another collection · chain G against G, TM-score 1.00
- Q72LF3 · AlphaFold monomer V2.0 prediction for tRNA-5-METHYLURIDINE(54) 2-sulfurtransferase… · a predicted model of the same protein · chain D against A, TM-score 0.99
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 Q72LF3
- Every structure of UniProt Q72LF4
- Elsewhere: RCSB PDB 5GHA · PDBe 5GHA · UniProt Q72LF3 · UniProt Q72LF4
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