MolNFT v1 · #159608 · protein
Cftr associated ligand (cal) PDZ domain bound to peptide KCAL01
6OV7 · Golgi-associated PDZ and coiled-coil motif-containing…: “Cftr associated ligand (cal) PDZ domain bound to peptide KCAL01”. X-ray diffraction, 3 pockets (best druggability 0.40). MolNFT v1 #159608 on GenesisL1: 3D structure, binding…
- PDB
- 6OV7
- Type
- protein
- Length
- 191 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; KCAL01 peptide
- UniProt
- Q9HD26
- Pockets
- 3 · best druggability 0.40
Structure
x-ray diffraction · 3 distinct chains · 16% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Golgi-associated PDZ and coiled-coil motif-containing protein | protein | 87 | 20% helix, 41% strand | Q9HD26 |
| C | KCAL01 peptide | protein | 9 | 0% helix, 33% strand | — |
| D | KCAL01 peptide | protein | 8 | 0% helix, 38% strand | — |
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 | 62 | 0.40 | 0.80 | 20 | empty |
| 2 | 65 | 0.39 | 0.79 | 20 | empty |
| 3 | 85 | 0.37 | 0.76 | 15 | empty |
Interfaces
3 interfaces between chains.
- A–C · 572 Ų buried · 13 hydrogen bonds · protein-protein
- B–D · 541 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 379 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 disulfide (disulfide).
Compared structures
- 6OV7 · CFTR Associated Ligand (CAL) PDZ domain bound to peptide kCAL01 · 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 0.98
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 Q9HD26
- Elsewhere: RCSB PDB 6OV7 · PDBe 6OV7 · UniProt Q9HD26
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