Research workbench
Crystal structure of wild-type BX1 complexed with a sulfate ion
Analyse Crystal structure of wild-type BX1 complexed with a sulfate ion in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1TJR
- Type
- protein
- Length
- 516 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- BX1
- EC
- 4.2.1.20
- UniProt
- P42390
- Ligands
- SO4
- Pockets
- 8 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | BX1 (EC 4.2.1.20) | protein | 261 | 47% helix, 13% strand | P42390 |
| B | BX1 (EC 4.2.1.20) | protein | 255 | 45% helix, 14% strand | P42390 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 109 | 0.77 | 0.96 | 31 | SO4 |
| 2 | 65 | 0.73 | 0.97 | 21 | SO4 |
| 3 | 139 | 0.55 | 0.81 | 23 | empty |
| 4 | 269 | 0.54 | 0.76 | 37 | empty |
| 5 | 118 | 0.46 | 0.78 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 475 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 18 modified (engineered).
Compared structures
- 1TJR · Crystal structure of wild-type BX1 complexed with a sulfate ion · the same entry in another collection · chain A against A, TM-score 1.00
- P42390 · AlphaFold monomer V2.0 prediction for indole-3-glycerol phosphate lyase, chloroplastic… · a predicted model of the same protein · chain A against A, TM-score 1.00
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 P42390
- Elsewhere: RCSB PDB 1TJR · PDBe 1TJR · UniProt P42390
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