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MolNFT v1 · #138758 · protein

Crystal structure of staphylococcus aureus sdre apo form

5WTA · Serine-aspartate repeat-containing protein E: “Crystal structure of staphylococcus aureus sdre apo form”. X-ray diffraction, 18 pockets (best druggability 0.77). MolNFT v1 #138758 on GenesisL1: 3D structure, binding sites and…

PDB
5WTA
Type
protein
Length
1,258 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Serine-aspartate repeat-containing protein E
UniProt
Q932F7
Pockets
18 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 6% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BSerine-aspartate repeat-containing protein Eprotein3155% helix, 52% strandQ932F7
C, DSerine-aspartate repeat-containing protein Eprotein3146% helix, 52% strandQ932F7

Pockets

18 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19070.770.8078empty
25320.760.8475empty
36250.760.8276empty
41320.710.9127empty
56490.700.7860empty

Interfaces

5 interfaces between chains.

  • C–D · 1223 Ų buried · 21 hydrogen bonds · protein-protein
  • A–B · 1211 Ų buried · 14 hydrogen bonds · protein-protein
  • B–D · 347 Ų buried · 7 hydrogen bonds · protein-protein
  • A–C · 245 Ų buried · 3 hydrogen bonds · protein-protein
  • A–D · 45 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 5WTA · Crystal Structure of Staphylococcus aureus SdrE apo form · the same entry in another collection · chain B against B, TM-score 1.00
  • Q932F7 · AlphaFold monomer V2.0 prediction for serine-aspartate repeat- containing protein E… · a predicted model of the same protein · chain A against A, TM-score 0.91

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