Research workbench
Crystal structure of DESKC_H188E in complex with AMP-pcp
Analyse Crystal structure of DESKC_H188E in complex with AMP-pcp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3GIE
- Type
- protein
- Length
- 413 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sensor histidine kinase desk
- EC
- 2.7.13.3
- UniProt
- O34757
- Ligands
- ACP, MG
- Pockets
- 4 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 62% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sensor histidine kinase desk (EC 2.7.13.3) | protein | 202 | 63% helix, 16% strand | O34757 |
| B | Sensor histidine kinase desk (EC 2.7.13.3) | protein | 211 | 60% helix, 15% strand | O34757 |
Ligands and binding sites
- ACP · Phosphomethylphosphonic acid adenylate ester · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 894 | 0.75 | 0.78 | 74 | empty |
| 2 | 229 | 0.63 | 0.82 | 25 | ACP, MG |
| 3 | 318 | 0.62 | 0.79 | 37 | empty |
| 4 | 79 | 0.49 | 0.83 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1954 Ų buried · 10 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 O34757
- Elsewhere: RCSB PDB 3GIE · PDBe 3GIE · UniProt O34757
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