Research workbench
Crystal structure of cftr associated ligand (cal) PDZ domain bound to ICAL36 (ansrwptsii) peptide
Analyse Crystal structure of cftr associated ligand (cal) PDZ domain bound to ICAL36… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4E34
- Type
- protein
- Length
- 194 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Golgi-associated PDZ and coiled-coil motif-containing protein; Decameric peptide, ICAL36
- UniProt
- Q9HD26
- Pockets
- 2 · best druggability 0.40
Structure
x-ray diffraction · 2 distinct chains · 19% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Golgi-associated PDZ and coiled-coil motif-containing protein | protein | 87 | 21% helix, 43% strand | Q9HD26 |
| C, D | Decameric peptide, ICAL36 | protein | 10 | 0% helix, 30% strand | — |
Ligands and binding sites
- GOL · Glycerol · additive · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 110 | 0.40 | 0.76 | 26 | empty |
| 2 | 53 | 0.36 | 0.80 | 18 | empty |
Interfaces
4 interfaces between chains.
- B–D · 553 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 487 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 394 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 155 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 4E34 · Crystal structure of CFTR Associated Ligand (CAL) PDZ domain bound to iCAL36 (ANSRWPTSII)… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9HD26 · AlphaFold monomer V2.0 prediction for golgi-associated PDZ and coiled-coil… · 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 Q9HD26
- Elsewhere: RCSB PDB 4E34 · PDBe 4E34 · UniProt Q9HD26
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