MolNFT v1 · #122522 · protein
Crystal structure of septin GTPase domain from chlamydomonas reinhardtii
5IRR · Septin-like protein: “Crystal structure of septin GTPase domain from chlamydomonas reinhardtii”. X-ray diffraction, 2 ligands (GSP, MG), 12 pockets (best druggability 0.79). MolNFT v1 #122522 on GenesisL1: 3D structure, binding…
- PDB
- 5IRR
- Type
- protein
- Length
- 559 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Septin-like protein
- UniProt
- A8IYS5
- Ligands
- GSP, MG
- Pockets
- 12 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Septin-like protein | protein | 278 | 39% helix, 18% strand | A8IYS5 |
| B | Septin-like protein | protein | 281 | 40% helix, 18% strand | A8IYS5 |
Ligands and binding sites
- GSP · 5'-guanosine-diphosphate-monothiophosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, 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, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 128 | 0.79 | 0.97 | 22 | empty |
| 2 | 293 | 0.74 | 0.87 | 40 | MG, GSP |
| 3 | 305 | 0.73 | 0.86 | 39 | MG, GSP |
| 4 | 119 | 0.65 | 0.88 | 20 | empty |
| 5 | 154 | 0.61 | 0.84 | 31 | empty |
Interfaces
1 interface between chains.
- A–B · 1696 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 5IRR · Crystal structure of Septin GTPase domain from Chlamydomonas reinhardtii · the same entry in another collection · chain A 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 A8IYS5
- Elsewhere: RCSB PDB 5IRR · PDBe 5IRR · UniProt A8IYS5
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