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Regulator from escherichia COLI

Analyse Regulator from escherichia COLI in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1B9N
Type
protein
Length
503 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein (mode)
UniProt
P0A9G8
Ligands
NI
Pockets
8 · best druggability 0.49

Structure

x-ray diffraction · 2 distinct chains · 35% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein (mode)protein25835% helix, 32% strandP0A9G8
BProtein (mode)protein24536% helix, 33% strandP0A9G8

Ligands and binding sites

  • NI · Nickel (II) ion · metal · chains A

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

Pockets

8 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11510.490.7827empty
21260.450.7819empty
31590.430.7519empty
41070.420.7718empty
51180.400.7516empty

Interfaces

1 interface between chains.

  • A–B · 2978 Ų buried · 53 hydrogen bonds · protein-protein

Compared structures

  • 1B9N · Regulator from escherichia COLI · the same entry in another collection · chain A against A, TM-score 1.00
  • P0A9G8 · AlphaFold monomer V2.0 prediction for DNA-binding transcriptional dual regulator mode… · a predicted model of the same protein · chain A against A, TM-score 0.80

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