MolNFT v1 · #98954 · protein

Crystal structure of a topoisomerase ATP inhibitor

4LP0 · Topoisomerase IV subunit B: “Crystal structure of a topoisomerase ATP inhibitor”. X-ray diffraction, 1 ligand (1YM), 1 pocket (best druggability 0.47). MolNFT v1 #98954 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4LP0
Type: protein
Length: 192 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Topoisomerase IV subunit B
EC: 5.99.1.-
UniProt: Q8DQB5
Ligands: 1YM
Pockets: 1 · best druggability 0.47

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Topoisomerase IV subunit B (EC 5.99.1.-)	protein	192	31% helix, 30% strand	Q8DQB5

Ligands and binding sites

1YM · 6'-[(ethylcarbamoyl)amino]-4'-[4-(trifluoromethyl)-1,3-thiazol-2-yl]-3,3'-bipyridine-5-carboxylic 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	107	0.47	0.80	24	1YM

Compared structures

4LP0 · Crystal structure of a topoisomerase ATP 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 4LP0 · PDBe 4LP0 · UniProt Q8DQB5

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