Research workbench
N-terminal pas domain homodimer of ppanr MAP3K from physcomitrella patens.
Analyse N-terminal pas domain homodimer of ppanr MAP3K from physcomitrella patens. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5IU1
- Type
- protein
- Length
- 218 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- CTR1-like protein
- UniProt
- A0A0K2BMT1
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.39
Structure
x-ray diffraction · 2 distinct chains · 28% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | CTR1-like protein | protein | 106 | 29% helix, 37% strand | A0A0K2BMT1 |
| B | CTR1-like protein | protein | 112 | 28% helix, 39% strand | A0A0K2BMT1 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 2 copies · chains B
- GOL · Glycerol · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 83 | 0.39 | 0.78 | 14 | empty |
| 2 | 77 | 0.38 | 0.77 | 18 | GOL |
| 3 | 59 | 0.26 | 0.73 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 829 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 5IU1 · N-terminal PAS domain homodimer of PpANR MAP3K from Physcomitrella patens. · 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 A0A0K2BMT1
- Elsewhere: RCSB PDB 5IU1 · PDBe 5IU1 · UniProt A0A0K2BMT1
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