MolNFT v1 · #105858 · protein
Crystal structure of T. brucei arginase-like protein triple mutant S149D/R151H/S226D bound with MN2+
4RHL: “Crystal structure of T. brucei arginase-like protein triple mutant S149D/R151H/S226D bound with MN2+”. X-ray diffraction, 1 ligand (MN), 8 pockets (best druggability 0.67). MolNFT v1 #105858 on GenesisL1: 3D structure, binding sites…
- PDB
- 4RHL
- Type
- protein
- Length
- 603 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Arginase
- EC
- 3.5.3.1
- UniProt
- Q581Y0
- Ligands
- MN
- Pockets
- 8 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 34% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Arginase (EC 3.5.3.1) | protein | 304 | 33% helix, 19% strand | Q581Y0 |
| B | Arginase (EC 3.5.3.1) | protein | 299 | 35% helix, 19% strand | Q581Y0 |
Ligands and binding sites
- MN · Manganese (II) ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 517 | 0.67 | 0.78 | 47 | empty |
| 2 | 415 | 0.62 | 0.77 | 44 | empty |
| 3 | 131 | 0.47 | 0.78 | 23 | empty |
| 4 | 119 | 0.42 | 0.77 | 22 | empty |
| 5 | 65 | 0.40 | 0.80 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 483 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4RHL · Crystal structure of T. brucei arginase-like protein triple mutant S149D/R151H/S226D… · 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 4RHL · PDBe 4RHL · UniProt Q581Y0
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