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Crystal structure of putative antibiotic biosythesis monooxygenase from bacillus cereus

Analyse Crystal structure of putative antibiotic biosythesis monooxygenase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1TZ0
Type
protein
Length
306 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hypothetical protein
UniProt
Q81C15
Pockets
1 · best druggability 0.75

Structure

x-ray diffraction · 3 distinct chains · 22% helix, 37% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHypothetical proteinprotein10822% helix, 34% strandQ81C15
BHypothetical proteinprotein9724% helix, 38% strandQ81C15
CHypothetical proteinprotein10121% helix, 38% strandQ81C15

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · chains A
  • FMT · Formic acid · 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
19040.750.78111empty

Interfaces

3 interfaces between chains.

  • A–C · 735 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 623 Ų buried · 9 hydrogen bonds · protein-protein
  • B–C · 258 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified (engineered).

Compared structures

  • 1TZ0 · Crystal Structure of Putative Antibiotic Biosythesis Monooxygenase from Bacillus cereus · the same entry in another collection · chain A against A, TM-score 1.00

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