MolNFT v1 · #105371 · protein
Molecular analysis of the PDZ4 domain of mouse PDZK1
4R2Z · NA(+)/H(+) exchange regulatory cofactor nhe-RF3: “Molecular analysis of the PDZ4 domain of mouse PDZK1”. X-ray diffraction, 2 pockets (best druggability 0.35). MolNFT v1 #105371 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 4R2Z
- Type
- protein
- Length
- 165 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NA(+)/H(+) exchange regulatory cofactor nhe-RF3
- UniProt
- Q9JIL4
- Pockets
- 2 · best druggability 0.35
Structure
x-ray diffraction · 2 distinct chains · 16% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NA(+)/H(+) exchange regulatory cofactor nhe-RF3 | protein | 84 | 15% helix, 35% strand | Q9JIL4 |
| B | NA(+)/H(+) exchange regulatory cofactor nhe-RF3 | protein | 81 | 16% helix, 35% strand | Q9JIL4 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains A, B
- PG0 · 2-(2-methoxyethoxy)ethanol · additive · chains A
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 | 62 | 0.35 | 0.77 | 12 | PG0 |
| 2 | 73 | 0.35 | 0.76 | 12 | empty |
Interfaces
1 interface between chains.
- A–B · 385 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 4R2Z · Molecular Analysis of the PDZ4 Domain of Mouse PDZK1 · the same entry in another collection · chain A against A, TM-score 1.00
- Q9JIL4 · AlphaFold monomer V2.0 prediction for NA(+)/H(+) exchange regulatory cofactor nhe-RF3… · 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 Q9JIL4
- Elsewhere: RCSB PDB 4R2Z · PDBe 4R2Z · UniProt Q9JIL4
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