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MolNFT v1 · #62478 · protein

Crystal structure of a tetr-family transcriptional regulator (AF_1817) from archaeoglobus fulgidus at 2.55 a resolution

3EGQ · Tetr family transcriptional regulator: “Crystal structure of a tetr-family transcriptional regulator (AF_1817) from archaeoglobus fulgidus at 2.55 a…”. X-ray diffraction, 1 pocket (best druggability 0.86). MolNFT v1 #62478 on…

PDB
3EGQ
Type
protein
Length
329 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tetr family transcriptional regulator
UniProt
O28458
Pockets
1 · best druggability 0.86

Structure

x-ray diffraction · 2 distinct chains · 76% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATetr family transcriptional regulatorprotein16576% helix, 0% strandO28458
BTetr family transcriptional regulatorprotein16476% helix, 0% strandO28458

Ligands and binding sites

  • PE8 · 3,6,9,12,15,18,21-heptaoxatricosane-1,23-diol · additive · 2 copies · chains A, B

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
110730.860.8673PE8

Interfaces

1 interface between chains.

  • A–B · 1331 Ų buried · 10 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 22 modified (engineered).

Compared structures

  • 3EGQ · Crystal structure of a tetr-family transcriptional regulator (af_1817) from archaeoglobus… · the same entry in another collection · chain A against A, TM-score 1.00

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