Research workbench
Structure determination and refinement at 2.44 a resolution of argininosuccinate lyase from E. COLI
Analyse Structure determination and refinement at 2.44 a resolution of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1TJ7
- Type
- protein
- Length
- 906 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Argininosuccinate lyase
- EC
- 4.3.2.1
- UniProt
- P11447
- Ligands
- PO4
- Pockets
- 13 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 67% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Argininosuccinate lyase (EC 4.3.2.1) | protein | 455 | 66% helix, 5% strand | P11447 |
| B | Argininosuccinate lyase (EC 4.3.2.1) | protein | 451 | 69% helix, 5% strand | P11447 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- GOL · Glycerol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 541 | 0.73 | 0.81 | 65 | empty |
| 2 | 300 | 0.67 | 0.82 | 53 | PO4 |
| 3 | 352 | 0.58 | 0.76 | 45 | empty |
| 4 | 110 | 0.38 | 0.74 | 21 | GOL |
| 5 | 75 | 0.37 | 0.77 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 2424 Ų buried · 31 hydrogen bonds · protein-protein
Compared structures
- 1TJ7 · Structure determination and refinement at 2.44 A resolution of Argininosuccinate lyase… · the same entry in another collection · chain A against A, TM-score 1.00
- P11447 · AlphaFold monomer V2.0 prediction for argininosuccinate lyase (P11447) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P11447
- Elsewhere: RCSB PDB 1TJ7 · PDBe 1TJ7 · UniProt P11447
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