MolNFT v1 · #17948 · protein
Crystal structure of (H79A)DTXR
1P92 · Diphtheria toxin repressor: “Crystal structure of (H79A)DTXR”. X-ray diffraction, 2 pockets (best druggability 0.31). MolNFT v1 #17948 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1P92
- 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
- Pockets
- 2 · best druggability 0.31
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Diphtheria toxin repressor | protein | 218 | 48% helix, 11% strand | P33120 |
Ligands and binding sites
- BME · Beta-mercaptoethanol · additive · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 53 | 0.31 | 0.76 | 12 | BME |
| 2 | 60 | 0.30 | 0.75 | 15 | empty |
Modifications
Observed in the structure: 1 covalent (additive adduct).
Compared structures
- 1P92 · Crystal Structure of (H79A)DtxR · 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 1P92 · PDBe 1P92 · UniProt P33120
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