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E.COLI GYRB24 with inhibitor LMD43 (EBL2560)

Analyse E.COLI GYRB24 with inhibitor LMD43 (EBL2560) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7P2M
Type
protein
Length
193 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA gyrase subunit B
EC
5.6.2.2
UniProt
P0AES6
Ligands
N1N, PO4
Pockets
1 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA gyrase subunit B (EC 5.6.2.2)protein19333% helix, 30% strandP0AES6

Ligands and binding sites

  • N1N · 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid · ligand · chains A
  • PO4 · Phosphate ion · ion · chains A

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
1980.480.8017N1N

Compared structures

  • 7P2M · E.coli GyrB24 with inhibitor LMD43 (EBL2560) · the same entry in another collection · chain A against A, TM-score 1.00
  • P0AES6 · AlphaFold monomer V2.0 prediction for DNA gyrase subunit B (P0AES6) · a predicted model of the same protein · chain A against A, TM-score 0.96

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