MolNFT v1 · #86851 · protein
Crystal structure of cpxahdc (orthorhombic form 2)
4BIZ · Sensor protein cpxa: “Crystal structure of cpxahdc (orthorhombic form 2)”. X-ray diffraction, 2 ligands (ADP, SO4), 20 pockets (best druggability 0.81). MolNFT v1 #86851 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4BIZ
- Type
- protein
- Length
- 1,367 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sensor protein cpxa
- EC
- 2.7.13.3
- UniProt
- P0AE82
- Ligands
- ADP, SO4
- Pockets
- 20 · best druggability 0.81
Structure
x-ray diffraction · 6 distinct chains · 54% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sensor protein cpxa (EC 2.7.13.3) | protein | 233 | 54% helix, 19% strand | P0AE82 |
| B | Sensor protein cpxa (EC 2.7.13.3) | protein | 227 | 53% helix, 19% strand | P0AE82 |
| C | Sensor protein cpxa (EC 2.7.13.3) | protein | 239 | 55% helix, 18% strand | P0AE82 |
| D | Sensor protein cpxa (EC 2.7.13.3) | protein | 214 | 56% helix, 21% strand | P0AE82 |
| E | Sensor protein cpxa (EC 2.7.13.3) | protein | 229 | 54% helix, 19% strand | P0AE82 |
| F | Sensor protein cpxa (EC 2.7.13.3) | protein | 225 | 54% helix, 20% strand | P0AE82 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 4 copies · chains A, C, E, F
- SO4 · Sulfate ion · ion · 6 copies · chains A, E, B, C, D, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 10 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 791 | 0.81 | 0.84 | 66 | empty |
| 2 | 525 | 0.80 | 0.87 | 68 | ADP |
| 3 | 519 | 0.78 | 0.85 | 65 | ADP |
| 4 | 496 | 0.75 | 0.83 | 67 | ADP |
| 5 | 145 | 0.70 | 0.89 | 27 | empty |
Interfaces
9 interfaces between chains.
- A–B · 2980 Ų buried · 30 hydrogen bonds · protein-protein
- C–D · 2788 Ų buried · 20 hydrogen bonds · protein-protein
- E–F · 2702 Ų buried · 18 hydrogen bonds · protein-protein
- B–D · 1571 Ų buried · 15 hydrogen bonds · protein-protein
- B–C · 445 Ų buried · 2 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 4BIZ · PDBe 4BIZ · UniProt P0AE82
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