MolNFT v1 · #152853 · protein
Crystal structure of a membrane protein L259A
6IVL · Ibestrophin: “Crystal structure of a membrane protein L259A”. X-ray diffraction, 2 ligands (ZN, CL), 19 pockets (best druggability 0.78). MolNFT v1 #152853 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6IVL
- Type
- protein
- Length
- 1,345 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ibestrophin
- UniProt
- W9BH30
- Ligands
- ZN, CL
- Pockets
- 19 · best druggability 0.78
Structure
x-ray diffraction · 4 distinct chains · 78% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, D | Ibestrophin | protein | 268 | 78% helix, 1% strand | W9BH30 |
| B | Ibestrophin | protein | 270 | 79% helix, 0% strand | W9BH30 |
| C | Ibestrophin | protein | 269 | 78% helix, 1% strand | W9BH30 |
| E | Ibestrophin | protein | 270 | 77% helix, 1% strand | W9BH30 |
Ligands and binding sites
- ZN · Zinc ion · metal · 16 copies · chains A, B, D, C, E
- CL · Chloride ion · ion · 6 copies · chains A, C, D, E
- ACY · Acetic acid · additive · chains C, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 751 | 0.78 | 0.82 | 96 | empty |
| 2 | 233 | 0.76 | 0.90 | 33 | empty |
| 3 | 640 | 0.70 | 0.78 | 48 | ZN |
| 4 | 300 | 0.63 | 0.80 | 30 | empty |
| 5 | 190 | 0.61 | 0.82 | 29 | empty |
Interfaces
10 interfaces between chains.
- A–B · 2722 Ų buried · 22 hydrogen bonds · protein-protein
- A–E · 2563 Ų buried · 22 hydrogen bonds · protein-protein
- C–E · 2557 Ų buried · 23 hydrogen bonds · protein-protein
- C–D · 2532 Ų buried · 21 hydrogen bonds · protein-protein
- B–D · 2495 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 6IVL · Crystal structure of a membrane protein L259A · 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 W9BH30
- Elsewhere: RCSB PDB 6IVL · PDBe 6IVL · UniProt W9BH30
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