MolNFT v1 · #89054 · protein
Thermotoga maritima reverse gyrase, triclinic form
4DDV: “Thermotoga maritima reverse gyrase, triclinic form”. X-ray diffraction, 1 ligand (ZN), 20 pockets (best druggability 0.75). MolNFT v1 #89054 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4DDV
- Type
- protein
- Length
- 2,204 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Reverse gyrase
- EC
- 3.6.4.12, 5.99.1.3
- UniProt
- O51934
- Ligands
- ZN
- Pockets
- 20 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Reverse gyrase (EC 3.6.4.12, 5.99.1.3) | protein | 1102 | 42% helix, 19% strand | O51934 |
Ligands and binding sites
- ZN · Zinc ion · metal · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 863 | 0.75 | 0.79 | 82 | empty |
| 2 | 787 | 0.71 | 0.77 | 60 | empty |
| 3 | 782 | 0.71 | 0.77 | 64 | empty |
| 4 | 508 | 0.68 | 0.78 | 49 | empty |
| 5 | 616 | 0.68 | 0.77 | 60 | empty |
Interfaces
1 interface between chains.
- A–B · 709 Ų buried · 8 hydrogen bonds · protein-protein
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 O51934
- Elsewhere: RCSB PDB 4DDV · PDBe 4DDV · UniProt O51934
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