Research workbench
Crystal structure of human etb receptor in complex with IRL1620
Analyse Crystal structure of human etb receptor in complex with IRL1620 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6IGL
- Type
- protein
- Length
- 483 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endothelin receptor type B,ENDOLYSIN,ENDOTHELIN receptor type B; IRL1620
- EC
- 3.2.1.17
- UniProt
- P24530, A0A097J809
- Ligands
- SO4
- Pockets
- 7 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 71% helix, 6% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endothelin receptor type B,ENDOLYSIN,ENDOTHELIN receptor type B (EC 3.2.1.17) | protein | 469 | 72% helix, 7% strand | P24530, A0A097J809 |
| B | IRL1620 | protein | 14 | 64% helix, 0% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 3 copies · chains A
- SIN · Succinic acid · additive · chains B
- CIT · Citric acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 347 | 0.67 | 0.81 | 26 | empty |
| 2 | 110 | 0.64 | 0.89 | 18 | empty |
| 3 | 134 | 0.43 | 0.76 | 28 | empty |
| 4 | 52 | 0.42 | 0.83 | 14 | SO4 |
| 5 | 110 | 0.41 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1259 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide, 1 covalent (disulfide, additive adduct).
Compared structures
- 6IGL · Crystal Structure of human ETB receptor in complex with IRL1620 · the same entry in another collection · chain A against A, TM-score 1.00
- P24530 · AlphaFold monomer V2.0 prediction for endothelin receptor type B (P24530) · a predicted model of the same protein · chain A against A, TM-score 0.65
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 P24530
- Every structure of UniProt A0A097J809
- Elsewhere: RCSB PDB 6IGL · PDBe 6IGL · UniProt P24530 · UniProt A0A097J809
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