MolNFT v1 · #105863 · protein
Crystal structure of T. brucei arginase-like protein double mutant S149D/S153D
4RHQ: “Crystal structure of T. brucei arginase-like protein double mutant S149D/S153D”. X-ray diffraction, 15 pockets (best druggability 0.86). MolNFT v1 #105863 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4RHQ
- Type
- protein
- Length
- 920 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Arginase
- EC
- 3.5.3.1
- UniProt
- Q581Y0
- Pockets
- 15 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C | Arginase (EC 3.5.3.1) | protein | 307 | 34% helix, 19% strand | Q581Y0 |
| B | Arginase (EC 3.5.3.1) | protein | 306 | 36% helix, 19% strand | Q581Y0 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 4 copies · chains A, B, C
- GOL · Glycerol · additive · 2 copies · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 273 | 0.86 | 0.97 | 38 | EDO |
| 2 | 53 | 0.51 | 0.88 | 17 | empty |
| 3 | 194 | 0.50 | 0.77 | 38 | empty |
| 4 | 59 | 0.50 | 0.86 | 18 | empty |
| 5 | 54 | 0.49 | 0.86 | 16 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1265 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 1257 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 1249 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4RHQ · Crystal structure of T. brucei arginase-like protein double mutant S149D/S153D · 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 Q581Y0
- Elsewhere: RCSB PDB 4RHQ · PDBe 4RHQ · UniProt Q581Y0
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