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NMR solution structures of malonyl acp from the actinorhodin polyketide synthase in streptomyces coelicolor

Analyse NMR solution structures of malonyl acp from the actinorhodin polyketide… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2KG8
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
SXM

Structure

solution nmr · 1 distinct chain · 57% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AActinorhodin polyketide synthase acyl carrier proteinprotein8657% helix, 0% strandQ02054

Ligands and binding sites

  • SXM · 3-{[2-({N-[(2S)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid · 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

  • 2KG8 · NMR Solution Structures of malonyl ACP from the actinorhodin polyketide synthase in… · 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 0.86

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