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Crystal structure of human endothelin etb receptor in complex with sarafotoxin S6B

Analyse Crystal structure of human endothelin etb receptor in complex with sarafotoxin… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6LRY
Type
protein
Length
489 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; Sarafotoxin-B
EC
3.2.1.17
UniProt
P24530, A0A097J809, P13208
Pockets
6 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 69% helix, 6% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEndothelin receptor type B,ENDOLYSIN,ENDOTHELIN receptor type B (EC 3.2.1.17)protein46870% helix, 7% strandP24530, A0A097J809
BSarafotoxin-Bprotein2143% helix, 0% strandP13208

Pockets

6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12240.600.8135empty
21120.570.8423empty
31400.500.7923empty
41390.390.7424empty
5670.320.7516empty

Interfaces

1 interface between chains.

  • A–B · 1652 Ų buried · 28 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 6LRY · Crystal structure of human endothelin ETB receptor in complex with sarafotoxin S6b · 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
  • P13208 · AlphaFold monomer V2.0 prediction for sarafotoxin (P13208) · a predicted model of the same protein · chain B against A, TM-score 0.42

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