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MolNFT v1 · #6643 · protein

Three dimensional structure of beta-acrosin from boar spermatozoa

1FIZ · Beta-acrosin heavy chain: “Three dimensional structure of beta-acrosin from boar spermatozoa”. X-ray diffraction, 6 ligands (PBZ, NAG, NDG), 1 pocket (best druggability 0.60). MolNFT v1 #6643 on GenesisL1: 3D structure, binding…

PDB
1FIZ
Type
protein
Length
276 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-acrosin heavy chain; Beta-acrosin light chain
UniProt
P08001
Ligands
PBZ, NAG, NDG, BMA, FUL, SO4
Pockets
1 · best druggability 0.60

Structure

x-ray diffraction · 2 distinct chains · 9% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-acrosin heavy chainprotein2639% helix, 37% strandP08001
LBeta-acrosin light chainprotein130% helix, 0% strandP08001

Ligands and binding sites

  • PBZ · P-amino benzamidine · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
  • NDG · 2-acetamido-2-deoxy-alpha-D-glucopyranose · sugar
  • BMA · beta-D-mannopyranose · sugar
  • FUL · beta-L-fucopyranose · sugar · chains A
  • SO4 · Sulfate ion · ion · 4 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12710.600.7927empty

Interfaces

1 interface between chains.

  • A–L · 727 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

  • 1FIZ · Three dimensional structure of beta-acrosin from boar spermatozoa · the same entry in another collection · chain A against A, TM-score 1.00
  • P08001 · AlphaFold monomer V2.0 prediction for acrosin (P08001) · a predicted model of the same protein · chain A against A, TM-score 0.98

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