MolNFT v1 · #49502 · protein
Crystal structure of DTXR(E9A C102D) complexed with NICKEL(II)
2QQA · Diphtheria toxin repressor: “Crystal structure of DTXR(E9A C102D) complexed with NICKEL(II)”. X-ray diffraction, 2 ligands (NI, PO4), 3 pockets (best druggability 0.51). MolNFT v1 #49502 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2QQA
- Type
- protein
- Length
- 218 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Diphtheria toxin repressor
- UniProt
- P33120
- Ligands
- NI, PO4
- Pockets
- 3 · best druggability 0.51
Structure
x-ray diffraction · 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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