Research workbench
Crystal structure of argininosuccinate synthase (TM1780) from thermotoga maritima at 1.65 a resolution
Analyse Crystal structure of argininosuccinate synthase (TM1780) from thermotoga… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1VL2
- Type
- protein
- Length
- 1,574 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Argininosuccinate synthase
- EC
- 6.3.4.5
- UniProt
- Q9X2A1
- Pockets
- 16 · best druggability 0.91
Structure
x-ray diffraction · 4 distinct chains · 46% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Argininosuccinate synthase (EC 6.3.4.5) | protein | 398 | 45% helix, 21% strand | Q9X2A1 |
| B | Argininosuccinate synthase (EC 6.3.4.5) | protein | 394 | 46% helix, 21% strand | Q9X2A1 |
| C | Argininosuccinate synthase (EC 6.3.4.5) | protein | 393 | 46% helix, 21% strand | Q9X2A1 |
| D | Argininosuccinate synthase (EC 6.3.4.5) | protein | 389 | 47% helix, 21% strand | Q9X2A1 |
Pockets
16 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1200 | 0.91 | 0.93 | 155 | empty |
| 2 | 529 | 0.88 | 0.94 | 94 | empty |
| 3 | 596 | 0.87 | 0.92 | 75 | empty |
| 4 | 536 | 0.73 | 0.82 | 57 | empty |
| 5 | 604 | 0.72 | 0.80 | 50 | empty |
Interfaces
6 interfaces between chains.
- A–B · 3876 Ų buried · 51 hydrogen bonds · protein-protein
- C–D · 3814 Ų buried · 49 hydrogen bonds · protein-protein
- B–C · 1204 Ų buried · 11 hydrogen bonds · protein-protein
- A–D · 1134 Ų buried · 12 hydrogen bonds · protein-protein
- B–D · 1109 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1VL2 · Crystal structure of Argininosuccinate synthase (TM1780) from Thermotoga maritima at 1.65… · the same entry in another collection · chain D against D, TM-score 1.00
- Q9X2A1 · AlphaFold monomer V2.0 prediction for argininosuccinate synthase (Q9X2A1) · a predicted model of the same protein · chain C against A, TM-score 0.98
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 Q9X2A1
- Elsewhere: RCSB PDB 1VL2 · PDBe 1VL2 · UniProt Q9X2A1
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