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MolNFT v1 · #127832 · protein

Crystal structure of streptavidin with peptide rdpapawahggg

5N8E: “Crystal structure of streptavidin with peptide rdpapawahggg”. X-ray diffraction, 2 ligands (NA, NH2), 4 pockets (best druggability 0.69). MolNFT v1 #127832 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5N8E
Type
protein
Length
516 residues
Chains
7
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Streptavidin; Arg-asp-pro-ala-pro-ala-TRP-ala-his-gly-gly-gly-NH2
UniProt
P22629
Ligands
NA, NH2
Pockets
4 · best druggability 0.69

Structure

x-ray diffraction · 6 distinct chains · 8% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AStreptavidinprotein1198% helix, 55% strandP22629
BStreptavidinprotein1225% helix, 55% strandP22629
CStreptavidinprotein1217% helix, 55% strandP22629
DStreptavidinprotein1208% helix, 55% strandP22629
EArg-asp-pro-ala-pro-ala-TRP-ala-his-gly-gly-gly-NH2protein1233% helix, 0% strand—
F, HArg-asp-pro-ala-pro-ala-TRP-ala-his-gly-gly-gly-NH2protein1136% helix, 0% strand—

Ligands and binding sites

  • NA · Sodium ion · metal · 2 copies · chains B, C, A, D
  • NH2 · Amino group · ion · 3 copies · chains E, A, F, B, H

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15530.690.7959empty
23620.640.7949empty
32500.590.7940empty
4940.360.7421empty

Interfaces

13 interfaces between chains.

  • B–C · 1595 Ų buried · 31 hydrogen bonds · protein-protein
  • A–D · 1556 Ų buried · 27 hydrogen bonds · protein-protein
  • A–H · 562 Ų buried · 10 hydrogen bonds · protein-protein
  • D–E · 484 Ų buried · 5 hydrogen bonds · protein-protein
  • C–F · 481 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 5N8E · Crystal structure of streptavidin with peptide rdpapawahggg · the same entry in another collection · chain A against A, TM-score 1.00

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