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Crystal structure of a putative modulator of DNA gyrase (BT3649) from bacteroides thetaiotaomicron vpi-5482 at 1.75 a resolution
Analyse Crystal structure of a putative modulator of DNA gyrase (BT3649) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1VPB
- Type
- protein
- Length
- 437 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative modulator of DNA gyrase
- UniProt
- Q8A1L2
- Pockets
- 2 · best druggability 0.57
Structure
x-ray diffraction · 1 distinct chain · 22% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative modulator of DNA gyrase | protein | 437 | 22% helix, 38% strand | Q8A1L2 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 363 | 0.57 | 0.75 | 54 | EDO |
| 2 | 195 | 0.48 | 0.76 | 29 | empty |
Compared structures
- 1VPB · Crystal structure of a putative modulator of DNA gyrase (BT3649) from bacteroides… · 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 Q8A1L2
- Elsewhere: RCSB PDB 1VPB · PDBe 1VPB · UniProt Q8A1L2
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