Research workbench
Solution NMR structure of the productive complex between iiamannose and iibmannose of the mannose transporter of the E. COLI phosphotransferase system
Analyse Solution NMR structure of the productive complex between iiamannose and… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1VSQ
- Type
- protein
- Length
- 431 residues
- Chains
- 3
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Mannose-specific phosphotransferase enzyme iia component; Mannose-specific…
- EC
- 2.7.1.-, 2.7.1.69
- UniProt
- P69797
- Pockets
- 3 · best druggability 0.76
Structure
solution nmr · 2 distinct chains · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Mannose-specific phosphotransferase enzyme iia component (EC 2.7.1.-) | protein | 133 | 45% helix, 17% strand | P69797 |
| C | Mannose-specific phosphotransferase enzyme iib component (EC 2.7.1.69) | protein | 165 | 36% helix, 24% strand | P69797 |
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 673 | 0.76 | 0.82 | 64 | empty |
| 2 | 50 | 0.30 | 0.77 | 16 | empty |
| 3 | 55 | 0.28 | 0.74 | 14 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1603 Ų buried · 20 hydrogen bonds · protein-protein
- A–C · 542 Ų buried · 1 hydrogen bond · protein-protein
- B–C · 516 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 1VSQ · Solution NMR structure of the productive complex between IIAMannose and IIBMannose of the… · the same entry in another collection · chain A against A, TM-score 1.00
- P69797 · AlphaFold monomer V2.0 prediction for pts system mannose-specific eiiab component (P69797) · a predicted model of the same protein · chain C against A, TM-score 0.97
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 P69797
- Elsewhere: RCSB PDB 1VSQ · PDBe 1VSQ · UniProt P69797
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