Research workbench
Crystal structure of zebrafish ileal bile acid-bindin protein complexed with cholic acid (crystal form B).
Analyse Crystal structure of zebrafish ileal bile acid-bindin protein complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3EM0
- Type
- protein
- Length
- 266 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ileal bile acid-binding protein
- UniProt
- Q6IMW5
- Ligands
- CHD
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 12% helix, 57% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ileal bile acid-binding protein | protein | 131 | 11% helix, 58% strand | Q6IMW5 |
| B | Ileal bile acid-binding protein | protein | 135 | 13% helix, 56% strand | Q6IMW5 |
Ligands and binding sites
- CHD · Cholic acid · ligand · 9 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 677 | 0.78 | 0.82 | 47 | CHD |
| 2 | 543 | 0.73 | 0.81 | 38 | CHD |
| 3 | 134 | 0.48 | 0.78 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 771 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 3EM0 · 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 3EM0 · PDBe 3EM0 · UniProt Q6IMW5
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