MolNFT v1 · #88398 · protein
Escherichia COLI envz histidine kinase catalytic part fused to archaeoglobus fulgidus AF1503 hamp domain
4CTI · Osmolarity sensor protein envz, AF1503: “Escherichia COLI envz histidine kinase catalytic part fused to archaeoglobus fulgidus AF1503 hamp domain”. X-ray diffraction, 8 pockets (best druggability 0.80). MolNFT v1 #88398 on…
- PDB
- 4CTI
- Type
- protein
- Length
- 855 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Osmolarity sensor protein envz, AF1503
- EC
- 2.7.13.3
- UniProt
- O28769, P0AEJ4
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 4 distinct chains · 59% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Osmolarity sensor protein envz, AF1503 (EC 2.7.13.3) | protein | 207 | 60% helix, 11% strand | O28769, P0AEJ4 |
| B | Osmolarity sensor protein envz, AF1503 (EC 2.7.13.3) | protein | 222 | 57% helix, 15% strand | O28769, P0AEJ4 |
| C | Osmolarity sensor protein envz, AF1503 (EC 2.7.13.3) | protein | 203 | 62% helix, 11% strand | O28769, P0AEJ4 |
| D | Osmolarity sensor protein envz, AF1503 (EC 2.7.13.3) | protein | 223 | 57% helix, 13% strand | O28769, P0AEJ4 |
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 803 | 0.80 | 0.83 | 64 | empty |
| 2 | 503 | 0.75 | 0.83 | 51 | empty |
| 3 | 499 | 0.73 | 0.81 | 63 | empty |
| 4 | 87 | 0.44 | 0.80 | 16 | empty |
| 5 | 111 | 0.39 | 0.75 | 24 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2731 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 2666 Ų buried · 17 hydrogen bonds · protein-protein
- B–D · 456 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4CTI · Escherichia coli EnvZ histidine kinase catalytic part fused to Archaeoglobus fulgidus… · the same entry in another collection · chain D against D, TM-score 1.00
- P0AEJ4 · AlphaFold monomer V2.0 prediction for sensor histidine kinase envz (P0AEJ4) · a predicted model of the same protein · chain C against A, TM-score 0.88
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 O28769
- Every structure of UniProt P0AEJ4
- Elsewhere: RCSB PDB 4CTI · PDBe 4CTI · UniProt O28769 · UniProt P0AEJ4
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