MolNFT v1 · #25474 · protein
Solution NMR structure of the productive complex between iiamannose and iibmannose of the mannose transporter of the E. COLI phosphotransferase system
1VSQ · Mannose-specific phosphotransferase enzyme iia component: “Solution NMR structure of the productive complex between iiamannose and iibmannose of the mannose transporter…”. Solution nmr, 3 pockets (best druggability 0.76). MolNFT v1…
- 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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