GL1X · GenesisL1 explorer

MolNFT v1 · #170907 · protein

Structural and kinetic evaluation of phosphoramidate inhibitors on thermolysin

6YMR: “Structural and kinetic evaluation of phosphoramidate inhibitors on thermolysin”. X-ray diffraction, 3 ligands (OZE, CA, ZN), 1 pocket (best druggability 0.45). MolNFT v1 #170907 on GenesisL1: 3D structure, binding sites and pockets…

PDB
6YMR
Type
protein
Length
316 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Thermolysin
EC
3.4.24.27
UniProt
P43133
Ligands
OZE, CA, ZN
Pockets
1 · best druggability 0.45

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
EThermolysin (EC 3.4.24.27)protein31642% helix, 18% strandP43133

Ligands and binding sites

  • OZE · (((R)-1-(((benzyloxy)carbonyl)amino)-2-phenylethyl) oxidophosphoryl)glycyl-L-leucinate · ligand · chains E
  • CA · Calcium ion · metal · 4 copies · chains E
  • ZN · Zinc ion · metal · chains E
  • DMS · Dimethyl sulfoxide · additive · 2 copies · chains E

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
11430.450.7627OZE

Compared structures

  • 6YMR · Structural and Kinetic Evaluation of Phosphoramidate Inhibitors on Thermolysin · the same entry in another collection · chain E against E, TM-score 1.00
  • P43133 · AlphaFold monomer V2.0 prediction for thermolysin (P43133) · a predicted model of the same protein · chain E against A, TM-score 1.00

Analyse

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.