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MolNFT v1 · #21921 · protein

Structure of mature human tissue kallikrein (human kallikrein 1 or KLK1) at 1.70 ångström resolution with vacant active site

1SPJ: “Structure of mature human tissue kallikrein (human kallikrein 1 or KLK1) at 1.70 ångström resolution with…”. X-ray diffraction, 2 ligands (NAG, CA), 1 pocket (best druggability 0.46). MolNFT v1 #21921 on GenesisL1: 3D structure…

PDB
1SPJ
Type
protein
Length
236 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Kallikrein 1
EC
3.4.21.35
UniProt
P06870
Ligands
NAG, CA
Pockets
1 · best druggability 0.46

Structure

x-ray diffraction · 1 distinct chain · 12% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AKallikrein 1 (EC 3.4.21.35)protein23612% helix, 34% strandP06870

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A
  • CA · Calcium ion · metal · 2 copies · chains A
  • ACY · Acetic acid · additive · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11500.460.7627empty

Modifications

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

Compared structures

  • 1SPJ · Structure of mature human tissue kallikrein (human kallikrein 1 or KLK1) at 1.70 ångström… · the same entry in another collection · chain A against A, TM-score 1.00
  • P06870 · AlphaFold monomer V2.0 prediction for kallikrein-1 (P06870) · a predicted model of the same protein · chain A against A, TM-score 0.99

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