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Long form D7 protein from anopheles darlingi with U46619 and serotonin bound

Analyse Long form D7 protein from anopheles darlingi with U46619 and serotonin bound in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7TX8
Type
protein
Length
1,176 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Long form D7 salivary protein
UniProt
B6DDQ8
Ligands
SRO, PUC
Pockets
20 · best druggability 0.72

Structure

x-ray diffraction · 3 distinct chains · 63% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALong form D7 salivary proteinprotein29562% helix, 3% strandB6DDQ8
B, CLong form D7 salivary proteinprotein29464% helix, 3% strandB6DDQ8
DLong form D7 salivary proteinprotein29365% helix, 3% strandB6DDQ8

Ligands and binding sites

  • SRO · Serotonin · ligand · 4 copies · chains A, B, C, D
  • PUC · (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid · ligand · 4 copies · chains A, B, C, D

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16820.720.7965empty
23630.690.8238PUC
33510.690.8235PUC
43480.680.8238PUC
5910.670.9123SRO

Interfaces

5 interfaces between chains.

  • B–C · 686 Ų buried · 5 hydrogen bonds · protein-protein
  • A–D · 649 Ų buried · 6 hydrogen bonds · protein-protein
  • B–D · 337 Ų buried · 0 hydrogen bonds · protein-protein
  • A–C · 309 Ų buried · 1 hydrogen bond · protein-protein
  • A–B · 18 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 20 disulfide (disulfide).

Compared structures

  • 7TX8 · Long form D7 protein from Anopheles darlingi with U46619 and serotonin bound · the same entry in another collection · chain A against A, TM-score 1.00

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