MolNFT v1 · #184797 · protein
E.COLI GYRB24 with inhibitor LMD92 (EBL2682)
7P2W · DNA gyrase subunit B: “E.COLI GYRB24 with inhibitor LMD92 (EBL2682)”. X-ray diffraction, 2 ligands (4QR, MG), 1 pocket (best druggability 0.58). MolNFT v1 #184797 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7P2W
- Type
- protein
- Length
- 204 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA gyrase subunit B
- EC
- 5.6.2.2
- UniProt
- P0AES6
- Ligands
- 4QR, MG
- Pockets
- 1 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 28% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA gyrase subunit B (EC 5.6.2.2) | protein | 204 | 30% helix, 28% strand | P0AES6 |
Ligands and binding sites
- 4QR · 2-[[3,4-bis(chloranyl)-5-methyl-1H-pyrrol-2-yl]carbonylamino]-4-[(3-carboxyphenyl)methoxy]-1,3-benzothiazole-6-carboxylic acid · ligand · chains A
- MG · Magnesium ion · metal · chains A
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 147 | 0.58 | 0.83 | 25 | 4QR |
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 P0AES6
- Elsewhere: RCSB PDB 7P2W · PDBe 7P2W · UniProt P0AES6
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