MolNFT v1 · #114401 · protein

Crystal structure of topoisomerase pare inhibitor

5BOC · DNA topoisomerase 4 subunit B: “Crystal structure of topoisomerase pare inhibitor”. X-ray diffraction, 1 ligand (TSJ), 1 pocket (best druggability 0.52). MolNFT v1 #114401 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 5BOC
Type: protein
Length: 192 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: DNA topoisomerase 4 subunit B
EC: 5.99.1.3
UniProt: Q8DQB5
Ligands: TSJ
Pockets: 1 · best druggability 0.52

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 30% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	DNA topoisomerase 4 subunit B (EC 5.99.1.3)	protein	192	31% helix, 30% strand	Q8DQB5

Ligands and binding sites

TSJ · 3-methyl-4-({3-[3-methyl-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl}carbamoyl)benzoic acid · ligand · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	115	0.52	0.82	24	TSJ

Compared structures

5BOC · Crystal structure of topoisomerase ParE inhibitor · 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 Q8DQB5
Elsewhere: RCSB PDB 5BOC · PDBe 5BOC · UniProt Q8DQB5

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