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MolNFT v1 · #22144 · protein

Core-streptavidin mutant W79F at pH 4.5

1SWJ: “Core-streptavidin mutant W79F at pH 4.5”. X-ray diffraction, 4 pockets (best druggability 0.69). MolNFT v1 #22144 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1SWJ
Type
protein
Length
460 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Core-streptavidin
UniProt
P22629
Pockets
4 · best druggability 0.69

Structure

x-ray diffraction · 4 distinct chains · 5% helix, 57% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACore-streptavidinprotein1125% helix, 58% strandP22629
BCore-streptavidinprotein1185% helix, 57% strandP22629
CCore-streptavidinprotein1175% helix, 57% strandP22629
DCore-streptavidinprotein1133% helix, 58% strandP22629

Pockets

4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13220.690.8342empty
23030.630.8042empty
32880.630.8038empty
42780.610.7938empty

Interfaces

6 interfaces between chains.

  • A–B · 1617 Ų buried · 24 hydrogen bonds · protein-protein
  • C–D · 1587 Ų buried · 26 hydrogen bonds · protein-protein
  • B–C · 447 Ų buried · 2 hydrogen bonds · protein-protein
  • A–D · 405 Ų buried · 2 hydrogen bonds · protein-protein
  • A–C · 199 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 1SWJ · Core-streptavidin mutant W79F at pH 4.5 · the same entry in another collection · chain A against A, TM-score 1.00

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