Research workbench
Crystal structure of H+/CA2+ exchanger cax
Analyse Crystal structure of H+/CA2+ exchanger cax in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4KPP
- Type
- protein
- Length
- 781 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative uncharacterized protein
- UniProt
- O29988
- Ligands
- OLA, OLB, GLC, CA
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 80% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative uncharacterized protein | protein | 395 | 79% helix, 3% strand | O29988 |
| B | Putative uncharacterized protein | protein | 386 | 80% helix, 3% strand | O29988 |
Ligands and binding sites
- OLA · Oleic acid · ligand · 5 copies · chains A, B
- OLB · (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · ligand · chains A
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains B, A
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 473 | 0.75 | 0.84 | 58 | empty |
| 2 | 584 | 0.73 | 0.80 | 61 | OLA |
| 3 | 462 | 0.61 | 0.75 | 33 | GLC, OLA |
| 4 | 193 | 0.46 | 0.73 | 22 | empty |
| 5 | 60 | 0.27 | 0.71 | 15 | OLA |
Interfaces
1 interface between chains.
- A–B · 507 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4KPP · Crystal Structure of H+/Ca2+ Exchanger CAX · 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 O29988
- Elsewhere: RCSB PDB 4KPP · PDBe 4KPP · UniProt O29988
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