MolNFT v1 · #23105 · protein
Crystal structure of IIGP1: a paradigm for interferon inducible P47 resistance gtpases
1TQ2 · Interferon-inducible GTPase: “Crystal structure of IIGP1: a paradigm for interferon inducible P47 resistance gtpases”. X-ray diffraction, 2 ligands (GNP, MG), 12 pockets (best druggability 0.69). MolNFT v1 #23105 on GenesisL1: 3D…
- PDB
- 1TQ2
- Type
- protein
- Length
- 787 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Interferon-inducible GTPase
- UniProt
- Q9QZ85
- Ligands
- GNP, MG
- Pockets
- 12 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 9% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Interferon-inducible GTPase | protein | 395 | 52% helix, 8% strand | Q9QZ85 |
| B | Interferon-inducible GTPase | protein | 392 | 51% helix, 9% strand | Q9QZ85 |
Ligands and binding sites
- GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · chains B
- MPD · (4S)-2-methyl-2,4-pentanediol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 590 | 0.69 | 0.78 | 47 | empty |
| 2 | 503 | 0.69 | 0.79 | 46 | empty |
| 3 | 158 | 0.57 | 0.82 | 33 | MG, GNP |
| 4 | 235 | 0.52 | 0.76 | 39 | empty |
| 5 | 75 | 0.42 | 0.80 | 28 | GNP |
Interfaces
1 interface between chains.
- A–B · 1109 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 1TQ2 · Crystal Structure of IIGP1: a paradigm for interferon inducible p47 resistance GTPases · the same entry in another collection · chain A against A, TM-score 1.00
- Q9QZ85 · AlphaFold monomer V2.0 prediction for interferon-inducible GTPase 1 (Q9QZ85) · a predicted model of the same protein · chain B against A, TM-score 0.95
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 Q9QZ85
- Elsewhere: RCSB PDB 1TQ2 · PDBe 1TQ2 · UniProt Q9QZ85
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