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Crystal structure of a laci-family transcriptional regulatory protein from corynebacterium glutamicum

Analyse Crystal structure of a laci-family transcriptional regulatory protein from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3GYB
Type
protein
Length
507 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transcriptional regulators (laci-family transcriptional regulatory protein)
UniProt
Q8NTY1
Ligands
MG
Pockets
4 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 40% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATranscriptional regulators (laci-family transcriptional regulatory protein)protein26139% helix, 18% strandQ8NTY1
BTranscriptional regulators (laci-family transcriptional regulatory protein)protein24641% helix, 17% strandQ8NTY1

Ligands and binding sites

  • MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11860.680.8734empty
21900.670.8626empty
32150.610.8140empty
42420.610.8026empty

Interfaces

1 interface between chains.

  • A–B · 1824 Ų buried · 28 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

  • 3GYB · Crystal structure of a LacI-family transcriptional regulatory protein from… · the same entry in another collection · chain A against A, TM-score 1.00

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