MolNFT v1 · #86848 · protein
Crystal structure of cpxahdc (hexagonal form)
4BIW · Sensor protein cpxa: “Crystal structure of cpxahdc (hexagonal form)”. X-ray diffraction, 3 ligands (ANP, MG, SO4), 6 pockets (best druggability 0.77). MolNFT v1 #86848 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4BIW
- Type
- protein
- Length
- 487 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sensor protein cpxa
- EC
- 2.7.13.3
- UniProt
- P0AE82
- Ligands
- ANP, MG, SO4
- Pockets
- 6 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sensor protein cpxa (EC 2.7.13.3) | protein | 245 | 54% helix, 18% strand | P0AE82 |
| B | Sensor protein cpxa (EC 2.7.13.3) | protein | 242 | 52% helix, 18% strand | P0AE82 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 434 | 0.77 | 0.86 | 62 | ANP, MG |
| 2 | 372 | 0.72 | 0.84 | 46 | ANP, MG |
| 3 | 565 | 0.72 | 0.81 | 45 | empty |
| 4 | 92 | 0.46 | 0.81 | 19 | empty |
| 5 | 87 | 0.38 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 3228 Ų buried · 29 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 P0AE82
- Elsewhere: RCSB PDB 4BIW · PDBe 4BIW · UniProt P0AE82
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