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Crystal structure of tRNA-dependent lantibiotic dehydratase nisb in complex with nisa leader peptide

Analyse Crystal structure of tRNA-dependent lantibiotic dehydratase nisb in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4WD9
Type
protein
Length
1,927 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nisin biosynthesis protein nisb
UniProt
P20103
Pockets
20 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANisin biosynthesis protein nisbprotein96543% helix, 20% strandP20103
BNisin biosynthesis protein nisbprotein96244% helix, 21% strandP20103

Pockets

20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19220.820.84111empty
210470.800.81107empty
37600.770.8180empty
44820.750.8352empty
55210.740.8267empty

Interfaces

1 interface between chains.

  • A–B · 3286 Ų buried · 30 hydrogen bonds · protein-protein

Compared structures

  • 4WD9 · Crystal structure of tRNA-dependent lantibiotic dehydratase NisB in complex with NisA… · the same entry in another collection · chain A against A, TM-score 1.00
  • P20103 · AlphaFold monomer V2.0 prediction for nisin biosynthesis protein nisb (P20103) · a predicted model of the same protein · chain B against A, TM-score 0.98

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