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MolNFT v2 · #121221 · protein

Human leucine zipper- and sterile alpha motif-containing kinase (ZAK, MLT, HCCS-4, MRK, AZK, MLTK) in complex with vemurafenib

5HES: “Human leucine zipper- and sterile alpha motif-containing kinase (ZAK, MLT, HCCS-4, MRK, AZK, MLTK) in complex…”. X-ray diffraction at 2.14, 1 ligand (032). MolNFT v2 #121221 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
5HES
Type
protein
Length
566 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.14
Source
Homo sapiens
UniProt
Q9NYL2
Ligands
032

Structure

x-ray diffraction · resolution 2.14 · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein288—Q9NYL2
B—protein278—Q9NYL2

Ligands and binding sites

  • 032 · N-(3-{[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl}-2,4-difluorophenyl)propane-1-sulfonamide · ligand · 2 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 2 copies · chains A, B

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

Compared structures

  • 5HES · Human leucine zipper- and sterile alpha motif-containing kinase (zak, mlt, hccs-4, mrk… · the same entry in another collection · chain A against A, TM-score 1.00

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