MolNFT v1 · #78794 · protein
Crystal structure of human arginase I in complex with the inhibitor me-abh, resolution 1.60 a, twinned structure
3SJT · Arginase-1: “Crystal structure of human arginase I in complex with the inhibitor me-abh, resolution 1.60 a, twinned…”. X-ray diffraction, 2 ligands (5AB, MN), 4 pockets (best druggability 0.77). MolNFT v1 #78794 on GenesisL1: 3D…
- PDB
- 3SJT
- Type
- protein
- Length
- 626 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Arginase-1
- EC
- 3.5.3.1
- UniProt
- P05089
- Ligands
- 5AB, MN
- Pockets
- 4 · best druggability 0.77
Structure
x-ray diffraction · 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 | 313 | 43% helix, 17% strand | P05089 |
Ligands and binding sites
- 5AB · [(5S)-5-amino-5-carboxyhexyl](trihydroxy)borate · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 979 | 0.77 | 0.79 | 97 | 5AB |
| 2 | 100 | 0.48 | 0.82 | 22 | 5AB |
| 3 | 51 | 0.34 | 0.79 | 14 | empty |
| 4 | 56 | 0.34 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 462 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 3SJT · Crystal structure of human arginase I in complex with the inhibitor Me-ABH, Resolution… · 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 3SJT · PDBe 3SJT · UniProt P05089
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