MolNFT v1 · #152854 · protein
Crystal structure of a membrane protein P143A
6IVM · Ibestrophin: “Crystal structure of a membrane protein P143A”. X-ray diffraction, 4 ligands (LEU, ZN, NA), 16 pockets (best druggability 0.84). MolNFT v1 #152854 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6IVM
- Type
- protein
- Length
- 1,349 residues
- Chains
- 5
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ibestrophin
- UniProt
- W9BH30
- Ligands
- LEU, ZN, NA, CL
- Pockets
- 16 · best druggability 0.84
Structure
x-ray diffraction · 5 distinct chains · 80% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ibestrophin | protein | 270 | 77% helix, 1% strand | W9BH30 |
| B | Ibestrophin | protein | 270 | 79% helix, 1% strand | W9BH30 |
| C | Ibestrophin | protein | 269 | 80% helix, 1% strand | W9BH30 |
| D | Ibestrophin | protein | 269 | 82% helix, 1% strand | W9BH30 |
| E | Ibestrophin | protein | 271 | 81% helix, 1% strand | W9BH30 |
Ligands and binding sites
- LEU · Leucine · ligand · chains A, B
- ZN · Zinc ion · metal · 17 copies · chains A, E, B, D, C
- NA · Sodium ion · metal · chains C, D
- CL · Chloride ion · ion · 12 copies · chains A, E, B, C, D
- ACY · Acetic acid · additive · 2 copies · chains B, C, E
- EDO · 1,2-ethanediol · additive · chains A, E
- PG4 · Tetraethylene glycol · additive · chains C, E
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1105 | 0.84 | 0.84 | 140 | EDO, PG4 |
| 2 | 649 | 0.70 | 0.78 | 53 | ZN, CL, NA |
| 3 | 202 | 0.65 | 0.84 | 30 | empty |
| 4 | 262 | 0.59 | 0.79 | 37 | empty |
| 5 | 208 | 0.52 | 0.77 | 42 | empty |
Interfaces
10 interfaces between chains.
- A–B · 2764 Ų buried · 30 hydrogen bonds · protein-protein
- A–E · 2629 Ų buried · 24 hydrogen bonds · protein-protein
- C–D · 2589 Ų buried · 21 hydrogen bonds · protein-protein
- B–D · 2557 Ų buried · 19 hydrogen bonds · protein-protein
- C–E · 2536 Ų buried · 22 hydrogen bonds · protein-protein
Compared structures
- 6IVM · Crystal structure of a membrane protein P143A · the same entry in another collection · chain C against C, 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 6IVM · PDBe 6IVM · UniProt W9BH30
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.