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Crystal structure of the P- and N-domains of copa, a copper- transporting P-type ATPase, bound with amppcp-mg
Analyse Crystal structure of the P- and N-domains of copa, a copper- transporting… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3A1C
- Type
- protein
- Length
- 540 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable copper-exporting P-type ATPase a
- EC
- 3.6.3.-
- UniProt
- O29777
- Ligands
- ACP, MG
- Pockets
- 3 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable copper-exporting P-type ATPase a (EC 3.6.3.-) | protein | 267 | 36% helix, 25% strand | O29777 |
| B | Probable copper-exporting P-type ATPase a (EC 3.6.3.-) | protein | 273 | 37% helix, 24% strand | O29777 |
Ligands and binding sites
- ACP · Phosphomethylphosphonic acid adenylate ester · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1156 | 0.85 | 0.86 | 135 | ACP, MG |
| 2 | 147 | 0.54 | 0.81 | 23 | empty |
| 3 | 64 | 0.37 | 0.78 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 1151 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 3A1C · crystal structure of the P- and N-domains of CopA, a copper-transporting P-type ATPase… · the same entry in another collection · chain A against A, TM-score 1.00
- O29777 · AlphaFold monomer V2.0 prediction for probable copper-exporting P-type ATPase (O29777) · a predicted model of the same protein · chain B against A, TM-score 0.68
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 O29777
- Elsewhere: RCSB PDB 3A1C · PDBe 3A1C · UniProt O29777
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