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MolNFT v1 · #134990 · protein

Thermolysin (60% isopropanol soaked crystals)

5TLI · Protein (thermolysin): “Thermolysin (60% isopropanol soaked crystals)”. X-ray diffraction, 2 ligands (CA, ZN), 1 pocket (best druggability 0.44). MolNFT v1 #134990 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5TLI
Type
protein
Length
316 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein (thermolysin)
EC
3.4.24.27
UniProt
P00800
Ligands
CA, ZN
Pockets
1 · best druggability 0.44

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein (thermolysin) (EC 3.4.24.27)protein31642% helix, 17% strandP00800

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A
  • ZN · Zinc ion · metal · chains A
  • IPA · Isopropyl alcohol · additive · 2 copies · chains A
  • DMS · Dimethyl sulfoxide · 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
11060.440.7825IPA

Compared structures

  • 5TLI · Thermolysin (60% isopropanol soaked crystals) · the same entry in another collection · chain A against A, TM-score 1.00

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