MolNFT v1 · #62658 · protein
Crystal structure of zebrafish ileal bile acid-bindin protein complexed with cholic acid (crystal form a).
3ELZ · Ileal bile acid-binding protein: “Crystal structure of zebrafish ileal bile acid-bindin protein complexed with cholic acid (crystal form a).”. X-ray diffraction, 1 ligand (CHD), 8 pockets (best druggability 0.74). MolNFT v1 #62658…
- PDB
- 3ELZ
- Type
- protein
- Length
- 401 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ileal bile acid-binding protein
- UniProt
- Q6IMW5
- Ligands
- CHD
- Pockets
- 8 · best druggability 0.74
Structure
x-ray diffraction · 3 distinct chains · 11% helix, 58% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ileal bile acid-binding protein | protein | 132 | 13% helix, 58% strand | Q6IMW5 |
| B | Ileal bile acid-binding protein | protein | 135 | 11% helix, 59% strand | Q6IMW5 |
| C | Ileal bile acid-binding protein | protein | 134 | 8% helix, 58% strand | Q6IMW5 |
Ligands and binding sites
- CHD · Cholic acid · ligand · 13 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 499 | 0.74 | 0.82 | 37 | CHD |
| 2 | 501 | 0.73 | 0.82 | 39 | CHD |
| 3 | 511 | 0.73 | 0.81 | 38 | CHD |
| 4 | 465 | 0.65 | 0.78 | 43 | empty |
| 5 | 155 | 0.45 | 0.76 | 21 | empty |
Interfaces
2 interfaces between chains.
- B–C · 564 Ų buried · 6 hydrogen bonds · protein-protein
- A–B · 540 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 3ELZ · Crystal structure of Zebrafish Ileal Bile Acid-Bindin Protein complexed with cholic acid… · 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 Q6IMW5
- Elsewhere: RCSB PDB 3ELZ · PDBe 3ELZ · UniProt Q6IMW5
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.