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E.COLI GYRB24 with inhibitor KOB20 (EBL2583)

Analyse E.COLI GYRB24 with inhibitor KOB20 (EBL2583) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 7P2X
Type: protein
Length: 195 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: 4Q6, PO4
Pockets: 2 · best druggability 0.48

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	DNA gyrase subunit B (EC 5.6.2.2)	protein	195	33% helix, 30% strand	P0AES6

Ligands and binding sites

4Q6 · (2Z)-2-[[4,5-bis(bromanyl)-1H-pyrrol-2-yl]carbonylimino]-3-(phenylmethyl)-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

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	102	0.48	0.81	26	4Q6
2	54	0.33	0.77	18	empty

Compared structures

7P2X · E.coli GyrB24 with inhibitor KOB20 (EBL2583) · 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 0.95

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt P0AES6
Elsewhere: RCSB PDB 7P2X · PDBe 7P2X · UniProt P0AES6

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