MolNFT v1 · #21151 · protein
Crystal structure of escherichia COLI topoisomerase IV pare 24KDA subunit
1S14 · Topoisomerase IV subunit B: “Crystal structure of escherichia COLI topoisomerase IV pare 24KDA subunit”. X-ray diffraction, 1 ligand (NOV), 2 pockets (best druggability 0.55). MolNFT v1 #21151 on GenesisL1: 3D structure, binding…
- PDB
- 1S14
- Type
- protein
- Length
- 346 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Topoisomerase IV subunit B
- EC
- 5.99.1.-
- UniProt
- P20083
- Ligands
- NOV
- Pockets
- 2 · best druggability 0.55
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Topoisomerase IV subunit B (EC 5.99.1.-) | protein | 168 | 27% helix, 38% strand | P20083 |
| B | Topoisomerase IV subunit B (EC 5.99.1.-) | protein | 178 | 26% helix, 35% strand | P20083 |
Ligands and binding sites
- NOV · Novobiocin · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 161 | 0.55 | 0.80 | 24 | empty |
| 2 | 129 | 0.51 | 0.80 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 612 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 1S14 · Crystal structure of Escherichia coli Topoisomerase IV ParE 24kDa subunit · the same entry in another collection · chain A against A, TM-score 1.00
- P20083 · AlphaFold monomer V2.0 prediction for DNA topoisomerase 4 subunit B (P20083) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P20083
- Elsewhere: RCSB PDB 1S14 · PDBe 1S14 · UniProt P20083
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