GL1X · GenesisL1 explorer

MolNFT v2 · #136763 · protein

proMMP-9desFnII complexed to JNJ0966 INHIBITOR

5UE4: “proMMP-9desFnII complexed to JNJ0966 INHIBITOR”. X-ray diffraction at 1.8, 4 ligands (5XQ, CA, ZN). MolNFT v2 #136763 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5UE4
Type
protein
Length
447 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.8
Source
Homo sapiens
UniProt
P14780
Ligands
5XQ, CA, ZN, SO4

Structure

x-ray diffraction · resolution 1.8 · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein227—P14780
B—protein220—P14780

Ligands and binding sites

  • 5XQ · ~{N}-[5-[2-[(2-methoxyphenyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]ethanamide · ligand · chains B
  • CA · Calcium ion · metal · 5 copies · chains A, B
  • ZN · Zinc ion · metal · 4 copies · chains A, B
  • SO4 · Sulfate ion · ion · 3 copies · chains A, B

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

Compared structures

  • 5UE4 · Prommp-9DESFNII complexed to JNJ0966 inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
  • P14780 · AlphaFold monomer V2.0 prediction for matrix metalloproteinase-9 (P14780) · a predicted model of the same protein · chain B against A, TM-score 0.97

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