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Crystal structure of human arginase I in complex with the inhibitor FABH, Resolution 1.70 A, twinned structure
Analyse Crystal structure of human arginase I in complex with the inhibitor FABH… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3SKK
- Type
- protein
- Length
- 628 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.701
- Source
- Homo sapiens
- Molecule
- Arginase-1
- EC
- 3.5.3.1
- UniProt
- P05089
- Ligands
- 4U7, MN
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · resolution 1.701 · 1 distinct chain · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Arginase-1 (EC 3.5.3.1) | protein | 314 | 43% helix, 17% strand | P05089 |
Ligands and binding sites
- 4U7 · [(5S)-5-amino-5-carboxy-6,6-difluorohexyl](trihydroxy)borate(1-) · 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
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 937 | 0.77 | 0.79 | 91 | 4U7 |
| 2 | 98 | 0.47 | 0.81 | 23 | 4U7 |
Interfaces
1 interface between chains.
- A–B · 452 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 3SKK · Crystal structure of human arginase I in complex with the inhibitor fabh, resolution 1.70… · the same entry in another collection · chain A against A, TM-score 1.00
- P05089 · AlphaFold monomer V2.0 prediction for arginase-1 (P05089) · a predicted model of the same protein · chain B 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 P05089
- Elsewhere: RCSB PDB 3SKK · PDBe 3SKK · UniProt P05089
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