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NMR solution structures of 3,5-dioxohexyl acp (a triketide mimic) from the actinorhodin polyketide synthase in streptomyces coelicolor

Analyse NMR solution structures of 3,5-dioxohexyl acp (a triketide mimic) from the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2KGE
Type: protein
Length: 86 residues
Chains: 1
Method: solution nmr
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Actinorhodin polyketide synthase acyl carrier protein
UniProt: Q02054
Ligands: SXD

Structure

solution nmr · 1 distinct chain · 51% helix, 0% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Actinorhodin polyketide synthase acyl carrier protein	protein	86	51% helix, 0% strand	Q02054

Ligands and binding sites

SXD · N-{2-[(3,5-dioxohexyl)sulfanyl]ethyl}-N~3~-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide · ligand · chains A

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

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

2KGE · NMR Solution Structures of 3,5-dioxohexyl ACP (a triketide mimic) from the actinorhodin… · the same entry in another collection · chain A against A, TM-score 1.00
Q02054 · AlphaFold monomer V2.0 prediction for actinorhodin polyketide synthase acyl carrier… · a predicted model of the same protein · chain A against A, TM-score 0.88

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 Q02054
Elsewhere: RCSB PDB 2KGE · PDBe 2KGE · UniProt Q02054

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