MolNFT v1 · #124650 · protein
Crystal structure of the cavab voltage-gated calcium CHANNEL(WILD- type, 2.7A)
5KLB · Ion transport protein: “Crystal structure of the cavab voltage-gated calcium CHANNEL(WILD- type, 2.7A)”. X-ray diffraction, 3 ligands (MC3, CPS, CA), 20 pockets (best druggability 0.84). MolNFT v1 #124650 on GenesisL1: 3D structure…
- PDB
- 5KLB
- Type
- protein
- Length
- 1,068 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ion transport protein
- UniProt
- A8EVM5
- Ligands
- MC3, CPS, CA
- Pockets
- 20 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Ion transport protein | protein | 267 | 79% helix, 0% strand | A8EVM5 |
Ligands and binding sites
- MC3 · 1,2-dimyristoyl-rac-glycero-3-phosphocholine · ligand · 20 copies · chains A, C, D, B
- CPS · 3-[(3-cholamidopropyl)dimethylammonio]-1-propanesulfonate · ligand · 6 copies · chains A, C, D, B
- CA · Calcium ion · metal · 3 copies · chains A, B, 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, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 766 | 0.84 | 0.86 | 78 | CA, MC3 |
| 2 | 133 | 0.65 | 0.87 | 23 | MC3 |
| 3 | 133 | 0.64 | 0.86 | 22 | MC3 |
| 4 | 347 | 0.59 | 0.76 | 34 | MC3 |
| 5 | 135 | 0.55 | 0.81 | 16 | empty |
Interfaces
6 interfaces between chains.
- B–D · 2715 Ų buried · 23 hydrogen bonds · protein-protein
- A–D · 2632 Ų buried · 24 hydrogen bonds · protein-protein
- B–C · 2562 Ų buried · 21 hydrogen bonds · protein-protein
- A–C · 2487 Ų buried · 26 hydrogen bonds · protein-protein
- A–B · 352 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 5KLB · Crystal structure of the CavAb voltage-gated calcium channel(wild-type, 2.7A) · 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 A8EVM5
- Elsewhere: RCSB PDB 5KLB · PDBe 5KLB · UniProt A8EVM5
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