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MolNFT v1 · #121272 · protein

Acoustic injectors for drop-on-demand serial femtosecond crystallography

5HQD · Thermolysin: “Acoustic injectors for drop-on-demand serial femtosecond crystallography”. X-ray diffraction, 2 ligands (CA, ZN), 1 pocket (best druggability 0.53). MolNFT v1 #121272 on GenesisL1: 3D structure, binding sites and…

PDB
5HQD
Type
protein
Length
316 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Thermolysin
UniProt
V5IRV7
Ligands
CA, ZN
Pockets
1 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AThermolysinprotein31640% helix, 16% strandV5IRV7

Ligands and binding sites

  • CA · Calcium ion · metal · 5 copies · chains A
  • ZN · Zinc 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11360.530.8127ZN

Compared structures

  • 5HQD · Acoustic injectors for drop-on-demand serial femtosecond crystallography · the same entry in another collection · chain A against A, TM-score 1.00

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