MolNFT v1 · #148521 · protein
Crystal structure of E. COLI gyraseb 24KDA in complex with 6- [(ETHYLCARBAMOYL)AMINO]-4-[(3-METHYPHENYL)AMINO]-N-(3-methyphenyl) pyridine-3-carboxamide
6F94 · DNA gyrase subunit B: “Crystal structure of E. COLI gyraseb 24KDA in complex with 6…”. X-ray diffraction, 1 ligand (D0H), 1 pocket (best druggability 0.46). MolNFT v1 #148521 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 6F94
- Type
- protein
- Length
- 187 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
- D0H
- Pockets
- 1 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA gyrase subunit B (EC 5.99.1.3) | protein | 187 | 30% helix, 30% strand | P0AES7 |
Ligands and binding sites
- D0H · 6-(ethylcarbamoylamino)-~{N}-(3-methylphenyl)-4-[(3-methylphenyl)amino]pyridine-3-carboxamide · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 87 | 0.46 | 0.81 | 18 | D0H |
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 6F94 · PDBe 6F94 · UniProt P0AES7
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