MolNFT v1 · #112165 · protein
Structure of calcium-bound regulatory domain of the human ATP-MG/PI carrier in the P2 form
4ZCU · Calcium-binding mitochondrial carrier protein scamc-1: “Structure of calcium-bound regulatory domain of the human ATP-MG/PI carrier in the P2 form”. X-ray diffraction, 2 ligands (CA, SO4), 6 pockets (best druggability 0.59). MolNFT…
- PDB
- 4ZCU
- Type
- protein
- Length
- 454 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calcium-binding mitochondrial carrier protein scamc-1
- UniProt
- Q6NUK1
- Ligands
- CA, SO4
- Pockets
- 6 · best druggability 0.59
Structure
x-ray diffraction · 3 distinct chains · 61% helix, 5% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calcium-binding mitochondrial carrier protein scamc-1 | protein | 152 | 61% helix, 5% strand | Q6NUK1 |
| B | Calcium-binding mitochondrial carrier protein scamc-1 | protein | 152 | 61% helix, 5% strand | Q6NUK1 |
| C | Calcium-binding mitochondrial carrier protein scamc-1 | protein | 150 | 61% helix, 5% strand | Q6NUK1 |
Ligands and binding sites
- CA · Calcium ion · metal · 12 copies · chains A, B, C
- SO4 · Sulfate ion · ion · 8 copies · chains A, B, C
- GOL · Glycerol · additive · 5 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 160 | 0.59 | 0.83 | 24 | empty |
| 2 | 153 | 0.40 | 0.73 | 21 | empty |
| 3 | 77 | 0.39 | 0.78 | 25 | empty |
| 4 | 53 | 0.35 | 0.78 | 14 | empty |
| 5 | 104 | 0.34 | 0.73 | 15 | GOL |
Interfaces
2 interfaces between chains.
- A–B · 703 Ų buried · 12 hydrogen bonds · protein-protein
- A–C · 403 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4ZCU · Structure of calcium-bound regulatory domain of the human ATP-Mg/Pi carrier in the P2 form · the same entry in another collection · chain A against A, TM-score 1.00
- Q6NUK1 · AlphaFold monomer V2.0 prediction for calcium-binding mitochondrial carrier protein… · a predicted model of the same protein · chain A against A, TM-score 0.90
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 Q6NUK1
- Elsewhere: RCSB PDB 4ZCU · PDBe 4ZCU · UniProt Q6NUK1
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