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MolNFT v1 · #40664 · protein

Apostreptavidin pH 3.08 I222 complex

2IZE: “Apostreptavidin pH 3.08 I222 complex”. X-ray diffraction, 3 ligands (NA, CL, NH4), 3 pockets (best druggability 0.48). MolNFT v1 #40664 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2IZE
Type
protein
Length
243 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Streptavidin
UniProt
P22629
Ligands
NA, CL, NH4
Pockets
3 · best druggability 0.48

Structure

x-ray diffraction · 2 distinct chains · 8% helix, 57% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BStreptavidinprotein1228% helix, 57% strandP22629
DStreptavidinprotein1218% helix, 56% strandP22629

Ligands and binding sites

  • NA · Sodium ion · metal · chains B
  • CL · Chloride ion · ion · 2 copies · chains B, D
  • NH4 · Ammonium ion · ion · chains D
  • FMT · Formic acid · additive · 2 copies · chains B, D

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

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1820.480.8217NH4, CL, FMT
2780.450.8017NA, CL, FMT
3660.330.7621empty

Interfaces

1 interface between chains.

  • B–D · 1585 Ų buried · 26 hydrogen bonds · protein-protein

Compared structures

  • 2IZE · Apostreptavidin pH 3.08 I222 complex · the same entry in another collection · chain B against B, TM-score 1.00

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