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MolNFT v1 · #185459 · protein

Structure of human dimeric acmsd in complex with the inhibitor tes- 1025

7PWY: “Structure of human dimeric acmsd in complex with the inhibitor tes- 1025”. X-ray diffraction, 3 ligands (8EK, K, ZN). MolNFT v1 #185459 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7PWY
Type
protein
Length
1,289 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q8TDX5
Ligands
8EK, K, ZN

Structure

x-ray diffraction · 3 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B—protein334—Q8TDX5
C—protein301—Q8TDX5
D—protein320—Q8TDX5

Ligands and binding sites

  • 8EK · 2-[3-[(5-cyano-6-oxidanylidene-4-thiophen-2-yl-1H-pyrimidin-2-yl)sulfanylmethyl]phenyl]ethanoic acid · ligand · 2 copies · chains A, B
  • K · Potassium ion · metal · 6 copies · chains A, B, C, D
  • ZN · Zinc ion · metal · 4 copies · chains A, B, C, D

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

Compared structures

  • 7PWY · Structure of human dimeric ACMSD in complex with the inhibitor TES-1025 · the same entry in another collection · chain D against D, TM-score 1.00
  • Q8TDX5 · AlphaFold monomer V2.0 prediction for 2-amino-3-carboxymuconate-6-semialdehyde… · a predicted model of the same protein · chain C against A, TM-score 1.00

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