Research workbench
Ternary complex of calmodulin bound to 2 molecules of NHE1
Analyse Ternary complex of calmodulin bound to 2 molecules of NHE1 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6ZBI
- Type
- protein
- Length
- 220 residues
- Chains
- 3
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin-1; SODIUM/HYDROGEN exchanger 1
- UniProt
- P0DP23, P19634
- Ligands
- CA
- Pockets
- 4 · best druggability 0.48
Structure
solution nmr · 2 distinct chains · 60% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin-1 | protein | 148 | 55% helix, 3% strand | P0DP23 |
| B, C | SODIUM/HYDROGEN exchanger 1 | protein | 36 | 81% helix, 0% strand | P19634 |
Ligands and binding sites
- CA · Calcium ion · metal · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 132 | 0.48 | 0.78 | 19 | empty |
| 2 | 80 | 0.46 | 0.81 | 11 | empty |
| 3 | 108 | 0.44 | 0.77 | 14 | empty |
| 4 | 71 | 0.31 | 0.74 | 12 | empty |
Interfaces
2 interfaces between chains.
- A–C · 836 Ų buried · 1 hydrogen bond · protein-protein
- A–B · 815 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 6ZBI · Ternary complex of Calmodulin bound to 2 molecules of NHE1 · the same entry in another collection · chain A against A, TM-score 1.00
- P19634 · AlphaFold monomer V2.0 prediction for SODIUM/HYDROGEN exchanger 1 (P19634) · a predicted model of the same protein · chain B against A, TM-score 0.66
- P0DP23 · AlphaFold monomer V2.0 prediction for calmodulin-1 (P0DP23) · a predicted model of the same protein · chain A against A, TM-score 0.49
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 P0DP23
- Every structure of UniProt P19634
- Elsewhere: RCSB PDB 6ZBI · PDBe 6ZBI · UniProt P0DP23 · UniProt P19634
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