GL1X · GenesisL1 explorer

MolNFT v1 · #105322 · protein

Gntr family transcriptional regulator from listeria monocytogenes

4R1H · LMO0741 protein: “Gntr family transcriptional regulator from listeria monocytogenes”. X-ray diffraction, 1 pocket (best druggability 0.29). MolNFT v1 #105322 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
4R1H
Type
protein
Length
230 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
LMO0741 protein
UniProt
Q8Y901
Pockets
1 · best druggability 0.29

Structure

x-ray diffraction · 2 distinct chains · 61% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALMO0741 proteinprotein11660% helix, 8% strandQ8Y901
BLMO0741 proteinprotein11461% helix, 8% strandQ8Y901

Ligands and binding sites

  • ACT · Acetate ion · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1600.290.7410empty

Interfaces

1 interface between chains.

  • A–B · 1405 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 modified (engineered).

Compared structures

  • 4R1H · GntR family transcriptional regulator from Listeria monocytogenes · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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