Research workbench
Structure of this-thif protein complex
Analyse Structure of this-thif protein complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1ZUD
- Type
- protein
- Length
- 605 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Adenylyltransferase thif; This protein
- EC
- 2.7.7.-
- UniProt
- P30138, O32583
- Ligands
- ZN, CA, NA
- Pockets
- 5 · best druggability 0.72
Structure
x-ray diffraction · 4 distinct chains · 35% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| 1 | Adenylyltransferase thif (EC 2.7.7.-) | protein | 234 | 40% helix, 21% strand | P30138 |
| 2 | This protein | protein | 65 | 17% helix, 32% strand | O32583 |
| 3 | Adenylyltransferase thif (EC 2.7.7.-) | protein | 240 | 40% helix, 20% strand | P30138 |
| 4 | This protein | protein | 66 | 15% helix, 35% strand | O32583 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains 1, 3
- CA · Calcium ion · metal · 2 copies · chains 1, 3
- NA · Sodium ion · metal · 2 copies · chains 1, 3
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 71 | 0.72 | 0.96 | 18 | empty |
| 2 | 204 | 0.60 | 0.82 | 37 | empty |
| 3 | 204 | 0.54 | 0.79 | 32 | empty |
| 4 | 150 | 0.43 | 0.75 | 20 | empty |
| 5 | 134 | 0.39 | 0.74 | 22 | empty |
Interfaces
3 interfaces between chains.
- 1–3 · 2572 Ų buried · 25 hydrogen bonds · protein-protein
- 3–4 · 1118 Ų buried · 22 hydrogen bonds · protein-protein
- 1–2 · 1020 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 1ZUD · Structure of ThiS-ThiF protein complex · the same entry in another collection · chain 4 against 4, TM-score 1.00
- P30138 · AlphaFold monomer V2.0 prediction for sulfur carrier protein this adenylyltransferase… · a predicted model of the same protein · chain 1 against A, TM-score 0.99
- O32583 · AlphaFold monomer V2.0 prediction for sulfur carrier protein this (O32583) · a predicted model of the same protein · chain 2 against A, TM-score 0.96
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 P30138
- Every structure of UniProt O32583
- Elsewhere: RCSB PDB 1ZUD · PDBe 1ZUD · UniProt P30138 · UniProt O32583
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