MolNFT v1 · #107683 · protein
Crystal structure of the receiver domain of cpxr from E. COLI (orthorhombic form)
4UHJ · Transcriptional regulatory protein cpxr: “Crystal structure of the receiver domain of cpxr from E. COLI (orthorhombic form)”. X-ray diffraction, 1 ligand (MG), 5 pockets (best druggability 0.66). MolNFT v1 #107683 on GenesisL1: 3D…
- PDB
- 4UHJ
- Type
- protein
- Length
- 373 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulatory protein cpxr
- UniProt
- P0AE88
- Ligands
- MG
- Pockets
- 5 · best druggability 0.66
Structure
x-ray diffraction · 2 distinct chains · 47% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Transcriptional regulatory protein cpxr | protein | 126 | 48% helix, 18% strand | P0AE88 |
| C | Transcriptional regulatory protein cpxr | protein | 121 | 47% helix, 18% strand | P0AE88 |
Ligands and binding sites
- MG · Magnesium ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 188 | 0.66 | 0.85 | 28 | empty |
| 2 | 156 | 0.56 | 0.82 | 20 | empty |
| 3 | 140 | 0.51 | 0.80 | 22 | empty |
| 4 | 131 | 0.49 | 0.79 | 23 | empty |
| 5 | 73 | 0.29 | 0.73 | 21 | empty |
Interfaces
2 interfaces between chains.
- B–C · 1334 Ų buried · 32 hydrogen bonds · protein-protein
- A–B · 462 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4UHJ · Crystal structure of the receiver domain of CpxR from E. coli (orthorhombic form) · the same entry in another collection · chain A against A, TM-score 1.00
- P0AE88 · AlphaFold monomer V2.0 prediction for transcriptional regulatory protein cpxr (P0AE88) · a predicted model of the same protein · chain C against A, TM-score 0.95
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 P0AE88
- Elsewhere: RCSB PDB 4UHJ · PDBe 4UHJ · UniProt P0AE88
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