MolNFT v1 · #85172 · protein
Crosstalk between CU(I) and ZN(II) homeostasis
4A46 · SSR2857 protein: “Crosstalk between CU(I) and ZN(II) homeostasis”. X-ray diffraction, 3 ligands (ZN, NA, CL), 1 pocket (best druggability 0.58). MolNFT v1 #85172 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4A46
- Type
- protein
- Length
- 252 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- SSR2857 protein
- UniProt
- P73213
- Ligands
- ZN, NA, CL
- Pockets
- 1 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | SSR2857 protein | protein | 63 | 38% helix, 21% strand | P73213 |
Ligands and binding sites
- ZN · Zinc ion · metal · 2 copies · chains A, B, C, D
- NA · Sodium ion · metal · 2 copies · chains A, C
- CL · Chloride ion · ion · 2 copies · chains C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 464 | 0.58 | 0.74 | 54 | empty |
Interfaces
6 interfaces between chains.
- C–D · 511 Ų buried · 3 hydrogen bonds · protein-protein
- A–B · 434 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 358 Ų buried · 2 hydrogen bonds · protein-protein
- A–D · 48 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 13 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4A46 · Crosstalk between Cu(I) and Zn(II) homeostasis · 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 P73213
- Elsewhere: RCSB PDB 4A46 · PDBe 4A46 · UniProt P73213
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