GL1X · GenesisL1 explorer

MolNFT v1 · #127282 · protein

Kallikrein-related peptidase 8 calcium complex

5MS3 · Kallikrein-8: “Kallikrein-related peptidase 8 calcium complex”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.37). MolNFT v1 #127282 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5MS3
Type
protein
Length
228 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Kallikrein-8
EC
3.4.21.118
UniProt
O60259
Ligands
CA
Pockets
1 · best druggability 0.37

Structure

x-ray diffraction · 1 distinct chain · 9% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AKallikrein-8 (EC 3.4.21.118)protein2289% helix, 35% strandO60259

Ligands and binding sites

  • CA · Calcium ion · metal · 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
1840.370.7624empty

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 5MS3 · Kallikrein-related peptidase 8 calcium complex · the same entry in another collection · chain A against A, TM-score 1.00
  • O60259 · AlphaFold monomer V2.0 prediction for kallikrein-8 (O60259) · a predicted model of the same protein · chain A against A, TM-score 0.99

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