MolNFT v1 · #121037 · protein
Crystal structure of leishmania mexicana arginase in complex with inhibitor abhdp
5HJA: “Crystal structure of leishmania mexicana arginase in complex with inhibitor abhdp”. X-ray diffraction, 2 ligands (XA2, MN), 1 pocket (best druggability 0.39). MolNFT v1 #121037 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5HJA
- Type
- protein
- Length
- 303 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Arginase
- EC
- 3.5.3.1
- UniProt
- Q6TUJ5
- Ligands
- XA2, MN
- Pockets
- 1 · best druggability 0.39
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Arginase (EC 3.5.3.1) | protein | 303 | 45% helix, 17% strand | Q6TUJ5 |
Ligands and binding sites
- XA2 · (R)-2-amino-6-borono-2-(1-(3,4-dichlorobenzyl)piperidin-4-yl)hexanoic acid · ligand · chains A
- MN · Manganese (II) ion · metal · 2 copies · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 79 | 0.39 | 0.79 | 20 | XA2 |
Compared structures
- 5HJA · Crystal structure of Leishmania mexicana arginase in complex with inhibitor ABHDP · 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 Q6TUJ5
- Elsewhere: RCSB PDB 5HJA · PDBe 5HJA · UniProt Q6TUJ5
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.