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Crystal Structure of DtxR(E9A C102D) Complexed with Nickel(II)
Analyse Crystal Structure of DtxR(E9A C102D) Complexed with Nickel(II) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2QQA
- Type
- protein
- Length
- 218 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.1
- Source
- Corynebacterium diphtheriae
- Molecule
- Diphtheria toxin repressor
- UniProt
- P33120
- Ligands
- NI, PO4
- Pockets
- 3 · best druggability 0.51
Structure
x-ray diffraction · resolution 2.1 · 1 distinct chain · 47% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Diphtheria toxin repressor | protein | 218 | 47% helix, 18% strand | P33120 |
Ligands and binding sites
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 | 127 | 0.51 | 0.80 | 28 | empty |
| 2 | 109 | 0.45 | 0.79 | 19 | empty |
| 3 | 90 | 0.40 | 0.78 | 17 | empty |
Compared structures
- 2QQA · Crystal structure of DTXR(E9A C102D) complexed with NICKEL(II) · 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 P33120
- Elsewhere: RCSB PDB 2QQA · PDBe 2QQA · UniProt P33120
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