MolNFT v1 · #25432 · protein
Crystal structure of arginine biosynthesis bifunctional protein argj (10175521) from bacillus halodurans at 2.00 a resolution
1VRA: “Crystal structure of arginine biosynthesis bifunctional protein argj (10175521) from bacillus halodurans at…”. X-ray diffraction, 2 ligands (UNL, SO4), 1 pocket (best druggability 0.29). MolNFT v1 #25432 on GenesisL1: 3D structure…
- PDB
- 1VRA
- Type
- protein
- Length
- 404 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Arginine biosynthesis bifunctional protein argj
- EC
- 2.3.1.35, 2.3.1.1
- UniProt
- Q9K8V3
- Ligands
- UNL, SO4
- Pockets
- 1 · best druggability 0.29
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Arginine biosynthesis bifunctional protein argj (EC 2.3.1.35, 2.3.1.1) | protein | 191 | 31% helix, 34% strand | Q9K8V3 |
| B | Arginine biosynthesis bifunctional protein argj (EC 2.3.1.35, 2.3.1.1) | protein | 213 | 40% helix, 22% strand | Q9K8V3 |
Ligands and binding sites
- UNL · Unknown ligand · ligand · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 16 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 58 | 0.29 | 0.75 | 18 | SO4, EDO |
Interfaces
1 interface between chains.
- A–B · 2972 Ų buried · 72 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 modified (engineered).
Compared structures
- 1VRA · Crystal structure of Arginine biosynthesis bifunctional protein argJ (10175521) from… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9K8V3 · AlphaFold monomer V2.0 prediction for arginine biosynthesis bifunctional protein argj… · a predicted model of the same protein · chain B 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 Q9K8V3
- Elsewhere: RCSB PDB 1VRA · PDBe 1VRA · UniProt Q9K8V3
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