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Crystal structure of the starter condensation domain of rhizomide synthetase rzma mutant R148A in complex with C8-CoA

Analyse Crystal structure of the starter condensation domain of rhizomide synthetase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7C1L
Type
protein
Length
432 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Non-ribosomal peptide synthetase modules
EC
6.3.2.-
UniProt
E5ATN9
Ligands
CO8
Pockets
1 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANon-ribosomal peptide synthetase modules (EC 6.3.2.-)protein43240% helix, 23% strandE5ATN9

Ligands and binding sites

  • CO8 · Octanoyl-coenzyme A · ligand · chains A
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18810.830.85113CO8

Compared structures

  • 7C1L · Crystal structure of the starter condensation domain of rhizomide synthetase RzmA mutant… · the same entry in another collection · chain A against A, TM-score 1.00

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