MolNFT v1 · #9241 · protein
Crystal structure of the binuclear manganese metalloenzyme arginase complexed with S-(2-boronoethyl)-L-cysteine, an L-arginine analogue
1HQ5 · Arginase 1: “Crystal structure of the binuclear manganese metalloenzyme arginase complexed with…”. X-ray diffraction, 2 ligands (S2C, MN), 4 pockets (best druggability 0.47). MolNFT v1 #9241 on GenesisL1: 3D structure, binding sites…
- PDB
- 1HQ5
- Type
- protein
- Length
- 616 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Arginase 1
- EC
- 3.5.3.1
- UniProt
- P07824
- Ligands
- S2C, MN
- Pockets
- 4 · best druggability 0.47
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Arginase 1 (EC 3.5.3.1) | protein | 308 | 42% helix, 17% strand | P07824 |
Ligands and binding sites
- S2C · S-2-(boronoethyl)-L-cysteine · ligand · 2 copies · chains A, B
- MN · Manganese (II) ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 92 | 0.47 | 0.81 | 21 | S2C |
| 2 | 88 | 0.46 | 0.82 | 21 | S2C |
| 3 | 72 | 0.42 | 0.80 | 14 | empty |
| 4 | 69 | 0.40 | 0.79 | 14 | empty |
Compared structures
- 1HQ5 · Crystal structure of the binuclear manganese metalloenzyme arginase complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- P07824 · AlphaFold monomer V2.0 prediction for arginase-1 (P07824) · a predicted model of the same protein · 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 P07824
- Elsewhere: RCSB PDB 1HQ5 · PDBe 1HQ5 · UniProt P07824
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