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MolNFT v1 · #22879 · protein

Crystal structure of the xenopus tropicalis SPRED1 evh-1 domain

1TJ6: “Crystal structure of the xenopus tropicalis SPRED1 evh-1 domain”. X-ray diffraction, 2 pockets (best druggability 0.53). MolNFT v1 #22879 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1TJ6
Type
protein
Length
222 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
SPRED1
UniProt
Q66JG9
Pockets
2 · best druggability 0.53

Structure

x-ray diffraction · 2 distinct chains · 18% helix, 49% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASPRED1protein11517% helix, 47% strandQ66JG9
BSPRED1protein10720% helix, 50% strandQ66JG9

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11850.530.7924empty
2520.310.7613empty

Interfaces

1 interface between chains.

  • A–B · 314 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 1TJ6 · Crystal structure of the Xenopus tropicalis Spred1 EVH-1 domain · the same entry in another collection · chain A against A, TM-score 1.00
  • Q66JG9 · AlphaFold monomer V2.0 prediction for sprouty-related, EVH1 domain- containing protein 1… · a predicted model of the same protein · chain B against A, TM-score 0.92

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