MolNFT v1 · #107345 · protein
Crystal structure of argininosuccinate synthase from mycobacterium thermoresistibile
4U7J: “Crystal structure of argininosuccinate synthase from mycobacterium thermoresistibile”. X-ray diffraction, 1 ligand (CL), 5 pockets (best druggability 0.86). MolNFT v1 #107345 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4U7J
- Type
- protein
- Length
- 785 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Argininosuccinate synthase
- EC
- 6.3.4.5
- UniProt
- G7CBN9
- Ligands
- CL
- Pockets
- 5 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 45% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Argininosuccinate synthase (EC 6.3.4.5) | protein | 396 | 45% helix, 21% strand | G7CBN9 |
| B | Argininosuccinate synthase (EC 6.3.4.5) | protein | 389 | 45% helix, 22% strand | G7CBN9 |
Ligands and binding sites
- CL · Chloride ion · ion · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 13 copies · chains A, B
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 | 1156 | 0.86 | 0.87 | 103 | empty |
| 2 | 915 | 0.77 | 0.80 | 71 | EDO |
| 3 | 925 | 0.77 | 0.80 | 78 | EDO |
| 4 | 117 | 0.45 | 0.78 | 16 | empty |
| 5 | 107 | 0.45 | 0.78 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 4473 Ų buried · 55 hydrogen bonds · protein-protein
Compared structures
- 4U7J · Crystal structure of Argininosuccinate synthase from Mycobacterium thermoresistibile · the same entry in another collection · 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 G7CBN9
- Elsewhere: RCSB PDB 4U7J · PDBe 4U7J · UniProt G7CBN9
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