MolNFT v1 · #127101 · protein
E. COLI DNA gyrase B 24 kda ATPase domain in complex with 1-ethyl-3- [8-methyl-5-(2-methyl-pyridin-4-yl)-isoquinolin-3-yl]-urea
5MMN · DNA gyrase subunit B: “E. COLI DNA gyrase B 24 kda ATPase domain in complex with 1-ethyl-3…”. X-ray diffraction, 1 ligand (O54), 3 pockets (best druggability 0.52). MolNFT v1 #127101 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5MMN
- Type
- protein
- Length
- 205 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA gyrase subunit B
- EC
- 5.99.1.3
- UniProt
- P0AES7
- Ligands
- O54
- Pockets
- 3 · best druggability 0.52
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 27% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA gyrase subunit B (EC 5.99.1.3) | protein | 205 | 33% helix, 27% strand | P0AES7 |
Ligands and binding sites
- O54 · 1-ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl) isoquinolin-3-yl]urea · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 106 | 0.52 | 0.82 | 21 | O54 |
| 2 | 105 | 0.41 | 0.77 | 20 | empty |
| 3 | 55 | 0.31 | 0.75 | 14 | empty |
Compared structures
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 P0AES7
- Elsewhere: RCSB PDB 5MMN · PDBe 5MMN · UniProt P0AES7
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