GL1X · GenesisL1 explorer

MolNFT v1 · #58684 · protein

Human pancreatic alpha-amylase complexed with azide

3BAW: “Human pancreatic alpha-amylase complexed with azide”. X-ray diffraction, 5 ligands (NAG, NA, CA), 3 pockets (best druggability 0.57). MolNFT v1 #58684 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3BAW
Type
protein
Length
496 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pancreatic alpha-amylase
EC
3.2.1.1
UniProt
P04746
Ligands
NAG, NA, CA, AZI, CL
Pockets
3 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APancreatic alpha-amylase (EC 3.2.1.1)protein49628% helix, 24% strandP04746

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
  • NA · Sodium ion · metal · 3 copies · chains A
  • CA · Calcium ion · metal · chains A
  • AZI · Azide ion · ion · 2 copies · chains A
  • CL · Chloride ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12400.570.7826AZI, NA
2650.350.7819empty
3840.340.7516empty

Modifications

Observed in the structure: 5 disulfide, 1 glycan, 1 modified (disulfide, N-glycosylation, cyclization).

Compared structures

  • 3BAW · Human pancreatic alpha-amylase complexed with azide · the same entry in another collection · chain A against A, TM-score 1.00
  • P04746 · AlphaFold monomer V2.0 prediction for pancreatic alpha-amylase (P04746) · a predicted model of the same protein · chain A against A, TM-score 1.00

Analyse

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.