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MolNFT v1 · #125987 · protein

Kallikrein-related peptidase 10 complex with ZN2+

5LPE · Kallikrein-10: “Kallikrein-related peptidase 10 complex with ZN2+”. X-ray diffraction, 2 ligands (ZN, SO4), 2 pockets (best druggability 0.74). MolNFT v1 #125987 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5LPE
Type
protein
Length
406 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Kallikrein-10
EC
3.4.21.-
UniProt
O43240
Ligands
ZN, SO4
Pockets
2 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 10% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AKallikrein-10 (EC 3.4.21.-)protein20410% helix, 37% strandO43240
BKallikrein-10 (EC 3.4.21.-)protein20210% helix, 37% strandO43240

Ligands and binding sites

  • ZN · Zinc ion · metal · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 6 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17830.740.7972SO4
2770.310.7417empty

Interfaces

1 interface between chains.

  • A–B · 612 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide (disulfide).

Compared structures

  • 5LPE · Kallikrein-related peptidase 10 complex with Zn2+ · the same entry in another collection · chain A against A, TM-score 1.00
  • O43240 · AlphaFold monomer V2.0 prediction for kallikrein-10 (O43240) · a predicted model of the same protein · chain B against A, TM-score 0.94

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