MolNFT v1 · #30553 · protein
The crystal structures of A2U-globulin and its complex with a hyaline droplet inducer.
2A2G · Protein (alpha-2U-globulin): “The crystal structures of A2U-globulin and its complex with a hyaline droplet inducer.”. X-ray diffraction, 1 ligand (LEO), 10 pockets (best druggability 0.82). MolNFT v1 #30553 on GenesisL1: 3D…
- PDB
- 2A2G
- Type
- protein
- Length
- 632 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (alpha-2U-globulin)
- UniProt
- P02761
- Ligands
- LEO
- Pockets
- 10 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 17% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Protein (alpha-2U-globulin) | protein | 158 | 17% helix, 47% strand | P02761 |
Ligands and binding sites
- LEO · D-limonene 1,2-epoxide · ligand · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 121 | 0.82 | 0.99 | 19 | LEO |
| 2 | 123 | 0.82 | 0.99 | 19 | LEO |
| 3 | 121 | 0.82 | 0.99 | 21 | LEO |
| 4 | 116 | 0.81 | 0.98 | 18 | LEO |
| 5 | 1049 | 0.73 | 0.76 | 80 | empty |
Interfaces
6 interfaces between chains.
- B–D · 777 Ų buried · 7 hydrogen bonds · protein-protein
- A–C · 776 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 502 Ų buried · 5 hydrogen bonds · protein-protein
- A–D · 490 Ų buried · 5 hydrogen bonds · protein-protein
- A–B · 39 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 2A2G · The crystal structures of A2U-globulin and its complex with a hyaline droplet inducer. · the same entry in another collection · chain B against B, TM-score 1.00
- P02761 · AlphaFold monomer V2.0 prediction for major urinary protein (P02761) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P02761
- Elsewhere: RCSB PDB 2A2G · PDBe 2A2G · UniProt P02761
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