MolNFT v1 · #169841 · protein

DCN1 covalently bound to inhibitor 4

6XOQ: “DCN1 covalently bound to inhibitor 4”. X-ray diffraction, 1 ligand (H9S). MolNFT v1 #169841 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6XOQ
Type: protein
Length: 357 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: D9IEF7, Q96GG9
Ligands: H9S

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	357	—	D9IEF7, Q96GG9

Ligands and binding sites

H9S · (2E)-N-[(2S)-2-cyclohexyl-2-({N-propanoyl-3-[6-(propan-2-yl)-1,3-benzothiazol-2-yl]-L-alanyl}amino)ethyl]-4-(morpholin-4-yl)but-2-enamide · ligand · chains A

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

Compared structures

6XOQ · DCN1 covalently bound to inhibitor 4 · the same entry in another collection · chain A against A, TM-score 1.00
Q96GG9 · AlphaFold monomer V2.0 prediction for DCN1-like protein 1 (Q96GG9) · a predicted model of the same protein · chain A against A, TM-score 0.59

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt D9IEF7
Every structure of UniProt Q96GG9
Elsewhere: RCSB PDB 6XOQ · PDBe 6XOQ · UniProt D9IEF7 · UniProt Q96GG9

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