MolNFT v1 · #171327 · protein
Structure of the mrp antiporter complex
6Z16 · Multisubunit NA+/H+ antiporter, a subunit: “Structure of the mrp antiporter complex”. Electron microscopy, 2 ligands (PTY, K), 20 pockets (best druggability 0.86). MolNFT v1 #171327 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6Z16
- Type
- protein
- Length
- 3,744 residues
- Chains
- 14
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Multisubunit NA+/H+ antiporter, a subunit; Multisubunit NA+/H+ antiporter, B subunit…
- UniProt
- B7GL84, B7GL83, B7GL82, B7GL98, B7GL97, B7GL96, B7GIG3
- Ligands
- PTY, K
- Pockets
- 20 · best druggability 0.86
Structure
electron microscopy · 7 distinct chains · 71% helix, 4% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, a | Multisubunit NA+/H+ antiporter, a subunit | protein | 788 | 69% helix, 3% strand | B7GL84 |
| B, b | Multisubunit NA+/H+ antiporter, B subunit | protein | 138 | 67% helix, 6% strand | B7GL83 |
| C, c | Multisubunit NA+/H+ antiporter, C subunit | protein | 107 | 68% helix, 5% strand | B7GL82 |
| D, d | Multisubunit NA+/H+ antiporter, D subunit | protein | 489 | 76% helix, 2% strand | B7GL98 |
| E, e | Multisubunit NA+/H+ antiporter, E subunit | protein | 158 | 57% helix, 13% strand | B7GL97 |
| F, f | Multisubunit NA+/H+ antiporter, F subunit | protein | 88 | 77% helix, 0% strand | B7GL96 |
| G, g | Multisubunit NA+/H+ antiporter, G subunit | protein | 104 | 77% helix, 0% strand | B7GIG3 |
Ligands and binding sites
- PTY · Phosphatidylethanolamine · ligand · 26 copies · chains A, B, C, F, D, E, G, e, b, g, a, c, f, d
- K · Potassium ion · metal · 4 copies · chains A, C, D, a, c, d
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1149 | 0.86 | 0.86 | 80 | PTY |
| 2 | 1186 | 0.85 | 0.86 | 82 | PTY |
| 3 | 719 | 0.73 | 0.78 | 58 | PTY |
| 4 | 65 | 0.73 | 0.98 | 20 | K |
| 5 | 826 | 0.73 | 0.77 | 74 | empty |
Interfaces
31 interfaces between chains.
- A–D · 4932 Ų buried · 14 hydrogen bonds · protein-protein
- a–d · 4930 Ų buried · 16 hydrogen bonds · protein-protein
- A–C · 4066 Ų buried · 18 hydrogen bonds · protein-protein
- a–c · 4056 Ų buried · 17 hydrogen bonds · protein-protein
- F–G · 1838 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 6Z16 · Structure of the Mrp antiporter complex · 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 B7GL84
- Every structure of UniProt B7GL83
- Every structure of UniProt B7GL82
- Every structure of UniProt B7GL98
- Every structure of UniProt B7GL97
- Every structure of UniProt B7GL96
- Every structure of UniProt B7GIG3
- Elsewhere: RCSB PDB 6Z16 · PDBe 6Z16 · UniProt B7GL84 · UniProt B7GL83 · UniProt B7GL82 · UniProt B7GL98 · UniProt B7GL97 · UniProt B7GL96 · UniProt B7GIG3
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