Research workbench
Solution structures of the IIA(CHITOBIOSE)-hpr complex of the N,N'- diacetylchitobiose branch of the escherichia COLI phosphotransferase system
Analyse Solution structures of the IIA(CHITOBIOSE)-hpr complex of the N,N'… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2LRL
- Type
- protein
- Length
- 394 residues
- Chains
- 4
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- N,N'-diacetylchitobiose-specific phosphotransferase enzyme iia component; Phosphocarrier…
- EC
- 2.7.1.-, 2.7.11.-
- UniProt
- P69791, P0AA04
- Ligands
- PO3
- Pockets
- 5 · best druggability 0.79
Structure
solution nmr · 2 distinct chains · 61% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | N,N'-diacetylchitobiose-specific phosphotransferase enzyme iia component (EC 2.7.1.-) | protein | 103 | 83% helix, 0% strand | P69791 |
| D | Phosphocarrier protein hpr (EC 2.7.11.-) | protein | 85 | 35% helix, 27% strand | P0AA04 |
Ligands and binding sites
- PO3 · Phosphite ion · ion · chains A, C, D
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 | 496 | 0.79 | 0.86 | 51 | PO3 |
| 2 | 258 | 0.57 | 0.78 | 32 | empty |
| 3 | 162 | 0.51 | 0.78 | 22 | empty |
| 4 | 136 | 0.42 | 0.75 | 26 | empty |
| 5 | 53 | 0.32 | 0.76 | 15 | empty |
Interfaces
5 interfaces between chains.
- B–C · 811 Ų buried · 2 hydrogen bonds · protein-protein
- A–B · 807 Ų buried · 2 hydrogen bonds · protein-protein
- A–C · 657 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 441 Ų buried · 6 hydrogen bonds · protein-protein
- A–D · 398 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 2LRL · Solution Structures of the IIA(Chitobiose)-HPr complex of the N,N'-Diacetylchitobiose… · the same entry in another collection · chain D against D, TM-score 1.00
- P0AA04 · AlphaFold monomer V2.0 prediction for phosphocarrier protein hpr (P0AA04) · a predicted model of the same protein · chain D against A, TM-score 0.98
- P69791 · AlphaFold monomer V2.0 prediction for pts system N,N'-diacetylchitobiose-specific eiia… · a predicted model of the same protein · chain A against A, TM-score 0.84
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 P69791
- Every structure of UniProt P0AA04
- Elsewhere: RCSB PDB 2LRL · PDBe 2LRL · UniProt P69791 · UniProt P0AA04
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