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Co-crystal structure of nrps adenylation protein CYTC1 with aminobutyric acid and AMP from streptomyces

Analyse Co-crystal structure of nrps adenylation protein CYTC1 with aminobutyric acid… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3VNR
Type
protein
Length
493 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nrps adenylation protein CYTC1
Ligands
AMP, ABA
Pockets
2 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANrps adenylation protein CYTC1protein49333% helix, 27% strand—

Ligands and binding sites

  • AMP · Adenosine monophosphate · ligand · chains A
  • ABA · Alpha-aminobutyric acid · ligand · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19190.790.8281AMP, ABA
21100.440.7822empty

Compared structures

  • 3VNR · Co-crystal structure of NRPS adenylation protein CytC1 with aminobutyric acid and AMP… · the same entry in another collection · chain A against A, TM-score 1.00

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