MolNFT v1 · #152407 · protein
Crystal structure of human etb receptor in complex with endothelin-3
6IGK · Endothelin receptor type B,ENDOLYSIN,ENDOTHELIN receptor…: “Crystal structure of human etb receptor in complex with endothelin-3”. X-ray diffraction, 5 pockets (best druggability 0.68). MolNFT v1 #152407 on GenesisL1: 3D structure…
- PDB
- 6IGK
- Type
- protein
- Length
- 492 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; Endothelin-3
- EC
- 3.2.1.17
- UniProt
- P24530, A0A097J809, P14138
- Pockets
- 5 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 72% 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 | 471 | 74% helix, 7% strand | P24530, A0A097J809 |
| B | Endothelin-3 | protein | 21 | 43% helix, 0% strand | P14138 |
Ligands and binding sites
- OLC · (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate · additive · 12 copies · chains A
- CIT · Citric acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 377 | 0.68 | 0.81 | 47 | empty |
| 2 | 125 | 0.49 | 0.80 | 23 | empty |
| 3 | 144 | 0.38 | 0.73 | 25 | empty |
| 4 | 90 | 0.36 | 0.75 | 13 | empty |
| 5 | 63 | 0.33 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1699 Ų buried · 28 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 6IGK · Crystal Structure of human ETB receptor in complex with Endothelin-3 · 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 0.66
- P14138 · AlphaFold monomer V2.0 prediction for endothelin-3 (P14138) · a predicted model of the same protein · chain B against A, TM-score 0.49
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
- Every structure of UniProt P14138
- Elsewhere: RCSB PDB 6IGK · PDBe 6IGK · UniProt P24530 · UniProt A0A097J809 · UniProt P14138
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