MolNFT v1 · #113931 · protein
Crystal structure of the SGIP1 mu homology domain in the P1 space group
5AWS · SH3-containing GRB2-like protein 3-interacting protein 1: “Crystal structure of the SGIP1 mu homology domain in the P1 space group”. X-ray diffraction, 1 ligand (ZN), 5 pockets (best druggability 0.55). MolNFT v1 #113931 on…
- PDB
- 5AWS
- Type
- protein
- Length
- 540 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SH3-containing GRB2-like protein 3-interacting protein 1
- UniProt
- Q9BQI5
- Ligands
- ZN
- Pockets
- 5 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 11% helix, 56% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | SH3-containing GRB2-like protein 3-interacting protein 1 | protein | 275 | 10% helix, 54% strand | Q9BQI5 |
| B | SH3-containing GRB2-like protein 3-interacting protein 1 | protein | 265 | 12% helix, 57% strand | Q9BQI5 |
Ligands and binding sites
- ZN · Zinc ion · metal · 12 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 274 | 0.55 | 0.77 | 28 | empty |
| 2 | 220 | 0.54 | 0.78 | 29 | ZN |
| 3 | 225 | 0.54 | 0.77 | 34 | ZN |
| 4 | 61 | 0.28 | 0.74 | 16 | empty |
| 5 | 59 | 0.28 | 0.74 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 731 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 5AWS · Crystal structure of the SGIP1 mu homology domain in the P1 space group · the same entry in another collection · chain A against A, TM-score 1.00
- Q9BQI5 · AlphaFold monomer V2.0 prediction for SH3-containing GRB2-like protein 3-interacting… · a predicted model of the same protein · chain B against A, TM-score 0.98
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 Q9BQI5
- Elsewhere: RCSB PDB 5AWS · PDBe 5AWS · UniProt Q9BQI5
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