MolNFT v1 · #155197 · protein

Crystal structure of E.COLI DNA gyrase B in complex with 2-oxo-1,2- dihydroquinoline derivative

6KZV · DNA gyrase subunit B: “Crystal structure of E.COLI DNA gyrase B in complex with 2-oxo-1,2- dihydroquinoline derivative”. X-ray diffraction, 1 ligand (E0F), 2 pockets (best druggability 0.54). MolNFT v1 #155197 on GenesisL1: 3D…

PDB: 6KZV
Type: protein
Length: 198 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: A0A4V5JMQ9
Ligands: E0F
Pockets: 2 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	DNA gyrase subunit B (EC 5.6.2.2)	protein	198	32% helix, 29% strand	A0A4V5JMQ9

Ligands and binding sites

E0F · ~{N}-[2-[[cyclohexyl(methyl)amino]methyl]phenyl]-2-oxidanylidene-1~{H}-quinoline-3-carboxamide · ligand · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	129	0.54	0.82	19	E0F
2	68	0.35	0.77	16	empty

Compared structures

6KZV · Crystal structure of E.coli DNA gyrase B in complex with 2-oxo-1,2-dihydroquinoline… · the same entry in another collection · chain A against A, TM-score 1.00

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 A0A4V5JMQ9
Elsewhere: RCSB PDB 6KZV · PDBe 6KZV · UniProt A0A4V5JMQ9

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